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Ligand source activities (1 row/activity)

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

BAY u9773	218707	3H-LTD4	0	Human	Binding	pKi	=	300.00	6.52	1	2	-	PDSP KiDatabase	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	-
CHEMBL4577928	175615	None	0	Human	Binding	IC50	=	4500.00	5.35	-	1	Inhibition of CysLT2 (unknown origin)	ChEMBL	412.1	5	3	6	1.47	O=C(O)CNC(=O)c1c(O)c2c(n(Cc3ccc(C(F)(F)F)cc3)c1=O)COC2	https://dx.doi.org/10.1021/acsmedchemlett.8b00274
ICI198615	1978	None	12	Human	Binding	pKd	=	-	5.20	-251188	3	Unclassified	Guide to Pharmacology	548.2	8	2	8	4.70	COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21	https://pubmed.ncbi.nlm.nih.gov/1329767
LTD₄	2370	None	0	Human	Binding	pKd	=	-	8.35	-21	4	Unclassified	Guide to Pharmacology	496.3	20	5	6	3.43	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/10851239
LTD₄	2370	None	0	Human	Binding	pKi	=	-	7.70	-21	4	Unclassified	Guide to Pharmacology	496.3	20	5	6	3.43	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/9547367
LTE₄	2371	None	24	Human	Binding	pKi	=	-	6.50	-125	5	Unclassified	Guide to Pharmacology	439.2	18	4	5	4.31	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/9547367
MK 571	218708	3H-LTD4	0	Human	Binding	pKi	=	1000.00	6.00	-95	2	-	PDSP KiDatabase	514.1	11	1	5	6.48	CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1	-
montelukast	2592	None	44	Human	Binding	pKi	None	5.30	8.28	-2	21	None	Drug Central	585.2	12	2	4	8.95	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	-
Montelukast	218695	3H-LTD4	0	Human	Binding	pKi	=	5000.00	5.30	-2187	4	-	PDSP KiDatabase	473.2	7	2	3	7.89	CC(C)(O)c1ccccc1CCC(S)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1	-
pranlukast	3162	None	53	Human	Binding	IC50	=	3620.00	5.44	-	11	Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 addition by Aequorin luminescence assay	ChEMBL	481.2	9	2	7	4.63	O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1	https://dx.doi.org/10.1021/acs.jmedchem.5b00741
zafirlukast	4132	None	63	Human	Binding	IC50	=	7397.00	5.13	-776	14	Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 addition by Aequorin luminescence assay	ChEMBL	575.2	8	2	7	5.70	COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12	https://dx.doi.org/10.1021/acs.jmedchem.5b00741
zafirlukast	4132	3H-LTD4	63	Human	Binding	pKi	=	1000.00	6.00	-776	14	-	PDSP KiDatabase	575.2	8	2	7	5.70	COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12	-

Showing 1 to 12 of 12 entries

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

BayCysLT₂	588	None	21	Human	Functional	pA2	=	-	8.40	21	2	against LTC₄ and LTD₄ Ca²⁺ mobilisation assays in HUVEC	Guide to Pharmacology	589.3	16	3	6	6.01	O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1	https://pubmed.ncbi.nlm.nih.gov/21753081
BayCysLT₂	588	None	21	Human	Functional	pA2	=	-	8.30	21	2	against LTD₄ Ca²⁺ mobilisation assay in COS-7 cells	Guide to Pharmacology	589.3	16	3	6	6.01	O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1	https://pubmed.ncbi.nlm.nih.gov/21753081
BayCysLT₂	588	None	21	Human	Functional	IC50	=	53.00	7.28	21	2	Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay	ChEMBL	589.3	16	3	6	6.01	O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1	https://dx.doi.org/10.1021/acsmedchemlett.5b00482
BayCysLT₂	588	None	21	Human	Functional	IC50	=	53.00	7.28	21	2	Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay	ChEMBL	589.3	16	3	6	6.01	O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1	https://dx.doi.org/10.1021/ml500298y
BayCysLT₂	588	None	21	Human	Functional	pIC50	=	-	6.92	21	2	against 30-300nM LTD₄ arrestin assay in C2C12 myofibroblasts	Guide to Pharmacology	589.3	16	3	6	6.01	O=C(O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1	https://pubmed.ncbi.nlm.nih.gov/21903747
BAYu9773	589	None	19	Human	Functional	pIC50	=	-	5.34	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/21903747
BAYu9773	589	None	19	Human	Functional	pIC50	=	-	6.31	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/10851239
BAYu9773	589	None	19	Human	Functional	pIC50	=	-	6.31	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/11093801
BAYu9773	589	None	19	Human	Functional	pIC50	=	-	6.31	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/20423349
BAYu9773	589	None	19	Human	Functional	pEC50	=	-	7.04	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/11093801
BAYu9773	589	None	19	Human	Functional	IC50	=	300.00	6.52	-3	4	Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay	ChEMBL	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://dx.doi.org/10.1021/ml500298y
BAYu9773	589	None	19	Human	Functional	pIC50	=	-	7.73	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/20423349
BAYu9773	589	None	19	Human	Functional	pIC50	=	-	6.52	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/11093801
BAYu9773	589	None	19	Human	Functional	pKB	=	-	6.60	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/1331415
BAYu9773	589	None	19	Human	Functional	pEC50	=	-	7.16	-3	4	Unclassified	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/20423349
BAYu9773	589	None	19	Rat	Functional	pA2	=	-	7.25	3	4	against LTC₄ and LTD₄ induced contraction in smooth muscle preparation	Guide to Pharmacology	472.2	17	3	4	6.66	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](Sc1ccc(C(=O)O)cc1)[C@@H](O)CCCC(=O)O	https://pubmed.ncbi.nlm.nih.gov/7698171
CHEMBL2413378	91915	None	0	Human	Functional	IC50	=	7500.00	5.12	-	1	Antagonist activity at human recombinant CysLT2 receptor expressed in human HEK293 cells assessed as reduction in LTD4-induced cytosolic free Ca2+ level after 30 mins by fluorescence assay relative to control	ChEMBL	524.1	14	2	6	5.64	O=C(O)COc1ccc(C(=O)O)cc1C(=O)/C=C/c1ccc(OCCCCOc2ccc(Cl)cc2)cc1	https://dx.doi.org/10.1016/j.ejmech.2013.01.041
CHEMBL2413379	91916	None	0	Human	Functional	IC50	=	250.00	6.60	-	1	Antagonist activity at human recombinant CysLT2 receptor expressed in human HEK293 cells assessed as reduction in LTD4-induced cytosolic free Ca2+ level after 30 mins by fluorescence assay relative to control	ChEMBL	510.3	19	2	5	7.04	CCCCCCCCCCCCOc1cccc(/C=C/C(=O)c2cc(C(=O)O)ccc2OCC(=O)O)c1	https://dx.doi.org/10.1016/j.ejmech.2013.01.041
CHEMBL3341770	114896	None	0	Human	Functional	IC50	=	3700.00	5.43	-12	2	Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay	ChEMBL	516.2	11	2	5	5.32	CCCC(=O)N1CC(C(=O)O)Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21	https://dx.doi.org/10.1021/ml500298y
CHEMBL3342946	115082	None	0	Human	Functional	IC50	=	7700.00	5.11	1	2	Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay	ChEMBL	510.2	8	2	7	5.10	CCN(CC)C(=O)/C=C(\C)c1ccc2oc(C(=O)c3ccc(C#N)cc3)c(NC(=O)/C(C#N)=C(/C)O)c2c1	https://dx.doi.org/10.1021/ml500298y

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Ligand source activities (1 row/activity)