Compile Data Set for Download or QSAR

Found 346 hits with Last Name = 'stebbins' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209328 (1-(2-cyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrim...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCC1 Show InChI InChI=1S/C18H28N4/c1-14-17(21-10-4-2-3-5-11-21)19-16(15-8-9-15)20-18(14)22-12-6-7-13-22/h15H,2-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50181089 (6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidi...) Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1 Show InChI InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209324 (1-(2-cyclopropyl-6-(3-methylazetidin-1-yl)pyrimidi...) Show SMILES CC1CN(C1)c1cc(nc(n1)C1CC1)N1CCCCCC1 Show InChI InChI=1S/C17H26N4/c1-13-11-21(12-13)16-10-15(18-17(19-16)14-6-7-14)20-8-4-2-3-5-9-20/h10,13-14H,2-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209326 (1-(6-(azetidin-1-yl)-2-cyclopropyl-5-methylpyrimid...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCC1 Show InChI InChI=1S/C17H26N4/c1-13-16(20-9-4-2-3-5-10-20)18-15(14-7-8-14)19-17(13)21-11-6-12-21/h14H,2-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209325 (1-(2-cyclopropyl-5-methyl-6-(3-methylazetidin-1-yl...) Show SMILES CC1CN(C1)c1nc(nc(N2CCCCCC2)c1C)C1CC1 Show InChI InChI=1S/C18H28N4/c1-13-11-22(12-13)18-14(2)17(19-16(20-18)15-7-8-15)21-9-5-3-4-6-10-21/h13,15H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209323 (1-(2-cyclopropyl-6-(3,3-dimethylazetidin-1-yl)-5-m...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(C)(C)C1 Show InChI InChI=1S/C19H30N4/c1-14-17(22-10-6-4-5-7-11-22)20-16(15-8-9-15)21-18(14)23-12-19(2,3)13-23/h15H,4-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209320 (1-(2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-meth...) Show SMILES COC1CN(C1)c1nc(nc(N2CCCCCC2)c1C)C1CC1 Show InChI InChI=1S/C18H28N4O/c1-13-17(21-9-5-3-4-6-10-21)19-16(14-7-8-14)20-18(13)22-11-15(12-22)23-2/h14-15H,3-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209318 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCCC1 Show InChI InChI=1S/C20H32N4/c1-16-19(23-12-6-2-3-7-13-23)21-18(17-10-11-17)22-20(16)24-14-8-4-5-9-15-24/h17H,2-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209327 (1-(6-(azetidin-1-yl)-2-cyclopropylpyrimidin-4-yl)a...) Show SMILES C1CC1c1nc(cc(n1)N1CCCCCC1)N1CCC1 Show InChI InChI=1S/C16H24N4/c1-2-4-9-19(8-3-1)14-12-15(20-10-5-11-20)18-16(17-14)13-6-7-13/h12-13H,1-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209332 (1-(2-cyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimi...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCC1 Show InChI InChI=1S/C19H30N4/c1-15-18(22-11-5-2-3-6-12-22)20-17(16-9-10-16)21-19(15)23-13-7-4-8-14-23/h16H,2-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209330 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(O)C1 Show InChI InChI=1S/C17H26N4O/c1-12-16(20-8-4-2-3-5-9-20)18-15(13-6-7-13)19-17(12)21-10-14(22)11-21/h13-14,22H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209322 (1-(6-(3-bromoazetidin-1-yl)-2-cyclopropyl-5-methyl...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(Br)C1 Show InChI InChI=1S/C17H25BrN4/c1-12-16(21-8-4-2-3-5-9-21)19-15(13-6-7-13)20-17(12)22-10-14(18)11-22/h13-14H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209321 (1-(2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methy...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(F)C1 Show InChI InChI=1S/C17H25FN4/c1-12-16(21-8-4-2-3-5-9-21)19-15(13-6-7-13)20-17(12)22-10-14(18)11-22/h13-14H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209329 (1-(2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidi...) Show SMILES FC1CN(C1)c1cc(nc(n1)C1CC1)N1CCCCCC1 Show InChI InChI=1S/C16H23FN4/c17-13-10-21(11-13)15-9-14(18-16(19-15)12-5-6-12)20-7-3-1-2-4-8-20/h9,12-13H,1-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209319 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(=O)C1 Show InChI InChI=1S/C17H24N4O/c1-12-16(20-8-4-2-3-5-9-20)18-15(13-6-7-13)19-17(12)21-10-14(22)11-21/h13H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209331 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(C1)C#N Show InChI InChI=1S/C18H25N5/c1-13-17(22-8-4-2-3-5-9-22)20-16(15-6-7-15)21-18(13)23-11-14(10-19)12-23/h14-15H,2-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335958 (2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...) Show SMILES CCN(Cc1cc(F)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26FNO5/c1-3-28(26(31)33-17-18-7-5-4-6-8-18)16-20-15-21(27)10-11-22(20)23-13-19(14-25(29)30)9-12-24(23)32-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335954 (CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...) Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change after 4 hrs by flow cytometry				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50335954 (CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...) Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by time-dependent inhibition assay				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50013729 (CHEMBL3264919) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50013730 (CHEMBL3264920) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C35H44N4O5S/c1-8-38-31(36-39(33(38)41)24-27-14-18-28(19-15-27)34(3,4)5)11-9-10-26-16-20-29(21-17-26)44-35(6,7)32(40)37-45(42,43)30-22-12-25(2)13-23-30/h12-23H,8-11,24H2,1-7H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50013734 (CHEMBL3264924) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCCC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H48N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h16-23,29H,7-15,24H2,1-6H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335957 (2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...) Show SMILES CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H31ClN2O7S/c1-3-35(32(38)42-21-22-7-5-4-6-8-22)20-24-19-26(34-43(39,40)27-13-10-25(33)11-14-27)12-15-28(24)29-17-23(18-31(36)37)9-16-30(29)41-2/h4-17,19,34H,3,18,20-21H2,1-2H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335951 (2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnn(C)c1)C(=O)C1CC1 Show InChI InChI=1S/C26H29N3O4/c1-4-29(26(32)18-6-7-18)16-20-13-19(21-14-27-28(2)15-21)8-9-22(20)23-11-17(12-25(30)31)5-10-24(23)33-3/h5,8-11,13-15,18H,4,6-7,12,16H2,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50013735 (CHEMBL3264925) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C33H46N4O5S/c1-7-36-29(34-37(31(36)39)23-25-15-19-26(20-16-25)32(2,3)4)14-10-11-24-17-21-27(22-18-24)42-33(5,6)30(38)35-43(40,41)28-12-8-9-13-28/h15-22,28H,7-14,23H2,1-6H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335954 (CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...) Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335959 (2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-6-...) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H29NO7S/c1-4-28(27(31)35-18-19-8-6-5-7-9-19)17-21-16-22(36(3,32)33)11-12-23(21)24-14-20(15-26(29)30)10-13-25(24)34-2/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50366775 (BENZTROPINE | Benzatropine) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549908 (CHEMBL4760610) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(CC1)c1ccc(cn1)C#N Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549901 (CHEMBL4799006) Show SMILES CC1CN(CCN1c1ccc(cn1)C#N)C(=O)CCS(=O)(=O)c1cccc2ncsc12 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335954 (CHEMBL1668898 | Sodium [2'-[(cyclopropanecarbonyl-...) Show SMILES CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC Show InChI InChI=1S/C29H32N2O5/c1-4-31(29(34)20-7-8-20)18-23-16-21(22-10-13-27(30-17-22)36-5-2)9-11-24(23)25-14-19(15-28(32)33)6-12-26(25)35-3/h6,9-14,16-17,20H,4-5,7-8,15,18H2,1-3H3,(H,32,33)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549901 (CHEMBL4799006) Show SMILES CC1CN(CCN1c1ccc(cn1)C#N)C(=O)CCS(=O)(=O)c1cccc2ncsc12 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549908 (CHEMBL4760610) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(CC1)c1ccc(cn1)C#N Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549929 (CHEMBL4755122) Show SMILES CC1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549929 (CHEMBL4755122) Show SMILES CC1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549893 (CHEMBL4757103) Show SMILES C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50013736 (CHEMBL3264926) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C31H42N4O5S/c1-7-34-27(32-35(29(34)37)21-23-11-15-24(16-12-23)30(2,3)4)10-8-9-22-13-17-25(18-14-22)40-31(5,6)28(36)33-41(38,39)26-19-20-26/h11-18,26H,7-10,19-21H2,1-6H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335959 (2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-6-...) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)S(C)(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H29NO7S/c1-4-28(27(31)35-18-19-8-6-5-7-9-19)17-21-16-22(36(3,32)33)11-12-23(21)24-14-20(15-26(29)30)10-13-25(24)34-2/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335956 (2-(4'-acetamido-2'-(((benzyloxycarbonyl)(ethyl)ami...) Show SMILES CCN(Cc1cc(NC(C)=O)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H30N2O6/c1-4-30(28(34)36-18-20-8-6-5-7-9-20)17-22-16-23(29-19(2)31)11-12-24(22)25-14-21(15-27(32)33)10-13-26(25)35-3/h5-14,16H,4,15,17-18H2,1-3H3,(H,29,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335952 (2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-m...) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnc2ccccc2c1)C(=O)C1CC1 Show InChI InChI=1S/C31H30N2O4/c1-3-33(31(36)21-9-10-21)19-25-16-22(24-17-23-6-4-5-7-28(23)32-18-24)11-12-26(25)27-14-20(15-30(34)35)8-13-29(27)37-2/h4-8,11-14,16-18,21H,3,9-10,15,19H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549896 (CHEMBL4784357) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1C2CCC1CN(C2)c1ccc(cn1)C#N |THB:24:22:16:18.19| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335961 (2-(((benzyloxycarbonyl)(ethyl)amino)methyl)-5'-(ca...) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27NO7/c1-3-28(27(33)35-17-18-7-5-4-6-8-18)16-21-15-20(26(31)32)10-11-22(21)23-13-19(14-25(29)30)9-12-24(23)34-2/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549896 (CHEMBL4784357) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1C2CCC1CN(C2)c1ccc(cn1)C#N |THB:24:22:16:18.19| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335953 (2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-4'-...) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1ccc(F)cn1)C(=O)C1CC1 Show InChI InChI=1S/C27H27FN2O4/c1-3-30(27(33)18-5-6-18)16-20-14-19(24-10-8-21(28)15-29-24)7-9-22(20)23-12-17(13-26(31)32)4-11-25(23)34-2/h4,7-12,14-15,18H,3,5-6,13,16H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair

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