Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50010701   

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
Cytochrome P450 4B1 (Homo sapiens)	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP450 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP450 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541300 (CHEMBL4642936) Show SMILES CCCSc1nc(=O)cc(O)n1-c1cccc(C)c1 Show InChI InChI=1S/C14H16N2O2S/c1-3-7-19-14-15-12(17)9-13(18)16(14)11-6-4-5-10(2)8-11/h4-6,8-9,18H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541301 (CHEMBL4640721) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccc(C)cc1 Show InChI InChI=1S/C14H16N2O2S/c1-3-8-19-14-15-12(17)9-13(18)16(14)11-6-4-10(2)5-7-11/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541302 (CHEMBL4638547) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1Cl |(40.28,-25.39,;41.62,-26.16,;42.95,-25.39,;44.29,-26.16,;45.62,-25.38,;45.62,-23.84,;46.96,-23.07,;46.96,-21.53,;48.29,-23.84,;48.29,-25.37,;49.62,-26.14,;46.95,-26.14,;46.95,-27.68,;45.63,-28.45,;45.62,-29.99,;46.96,-30.76,;48.29,-29.99,;48.29,-28.44,;49.62,-27.67,)| Show InChI InChI=1S/C13H13ClN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541303 (CHEMBL4639331) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1F |(56.55,-24.81,;57.89,-25.58,;59.22,-24.81,;60.55,-25.57,;61.89,-24.8,;61.89,-23.26,;63.22,-22.49,;63.22,-20.95,;64.56,-23.26,;64.56,-24.79,;65.89,-25.56,;63.22,-25.56,;63.22,-27.1,;61.89,-27.87,;61.89,-29.41,;63.22,-30.18,;64.56,-29.41,;64.56,-27.86,;65.89,-27.09,)| Show InChI InChI=1S/C13H13FN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541304 (CHEMBL4640808) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1Br |(75.66,-25.69,;77,-26.46,;78.33,-25.69,;79.66,-26.45,;81,-25.68,;81,-24.14,;82.33,-23.36,;82.33,-21.82,;83.66,-24.14,;83.67,-25.67,;85,-26.44,;82.33,-26.44,;82.33,-27.98,;81,-28.75,;81,-30.29,;82.33,-31.06,;83.67,-30.29,;83.67,-28.74,;85,-27.96,)| Show InChI InChI=1S/C13H13BrN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	155	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541305 (CHEMBL4642243) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1C(F)(F)F |(2.99,-44.3,;4.32,-45.06,;5.65,-44.29,;6.99,-45.06,;8.31,-44.28,;8.32,-42.74,;9.65,-41.97,;9.66,-40.43,;10.98,-42.74,;10.98,-44.27,;12.31,-45.04,;9.65,-45.05,;9.65,-47.02,;8.32,-47.79,;8.32,-49.33,;9.66,-50.1,;10.99,-49.33,;10.98,-47.78,;12.31,-46.95,;11.53,-45.61,;13.08,-45.61,;13.67,-47.67,)| Show InChI InChI=1S/C14H13F3N2O2S/c1-2-7-22-13-18-11(20)8-12(21)19(13)10-6-4-3-5-9(10)14(15,16)17/h3-6,8,21H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541306 (CHEMBL4642418) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1CC |(20.85,-43.96,;22.19,-44.73,;23.52,-43.96,;24.85,-44.72,;26.19,-43.95,;26.19,-42.41,;27.52,-41.63,;27.52,-40.09,;28.86,-42.41,;28.86,-43.94,;30.19,-44.71,;27.52,-44.71,;27.52,-46.25,;26.19,-47.02,;26.19,-48.56,;27.52,-49.33,;28.86,-48.56,;28.86,-47.01,;30.19,-46.23,;31.52,-47,)| Show InChI InChI=1S/C15H18N2O2S/c1-3-9-20-15-16-13(18)10-14(19)17(15)12-8-6-5-7-11(12)4-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541307 (CHEMBL4639234) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OCC |(39.43,-44.01,;40.77,-44.78,;42.1,-44,;43.43,-44.77,;44.77,-44,;44.77,-42.45,;46.1,-41.68,;46.1,-40.14,;47.44,-42.45,;47.44,-43.99,;48.77,-44.76,;46.1,-44.76,;46.1,-46.29,;44.77,-47.06,;44.77,-48.61,;46.11,-49.38,;47.44,-48.61,;47.44,-47.06,;48.77,-46.28,;50.11,-47.05,;51.44,-46.27,)| Show InChI InChI=1S/C15H18N2O3S/c1-3-9-21-15-16-13(18)10-14(19)17(15)11-7-5-6-8-12(11)20-4-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541308 (CHEMBL4632913) Show SMILES COc1ccccc1-n1c(O)cc(=O)nc1SC(C)C |(67.57,-48.25,;66.23,-47.49,;64.9,-48.26,;64.9,-49.81,;63.57,-50.58,;62.23,-49.81,;62.23,-48.27,;63.56,-47.5,;63.56,-45.96,;64.9,-45.19,;66.23,-45.96,;64.9,-43.66,;63.56,-42.89,;63.57,-41.35,;62.23,-43.66,;62.23,-45.2,;60.9,-45.98,;59.56,-45.21,;58.23,-45.98,;59.56,-43.67,)| Show InChI InChI=1S/C14H16N2O3S/c1-9(2)20-14-15-12(17)8-13(18)16(14)10-6-4-5-7-11(10)19-3/h4-9,18H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541309 (CHEMBL4635715) Show SMILES COc1ccccc1-n1c(O)cc(=O)nc1SCC(C)C |(85.4,-47.57,;84.06,-46.8,;82.73,-47.58,;82.74,-49.13,;81.4,-49.9,;80.07,-49.13,;80.07,-47.58,;81.4,-46.81,;81.4,-45.28,;82.73,-44.51,;84.07,-45.28,;82.73,-42.97,;81.4,-42.2,;81.4,-40.66,;80.06,-42.97,;80.06,-44.52,;78.73,-45.29,;77.39,-44.52,;76.06,-45.3,;74.73,-44.53,;76.06,-46.84,)| Show InChI InChI=1S/C15H18N2O3S/c1-10(2)9-21-15-16-13(18)8-14(19)17(15)11-6-4-5-7-12(11)20-3/h4-8,10,19H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541310 (CHEMBL4641511) Show SMILES CCCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(3,-5.53,;4.33,-4.75,;5.67,-5.52,;7,-4.75,;8.33,-5.52,;9.67,-4.74,;9.67,-3.2,;11,-2.43,;11,-.89,;12.34,-3.2,;12.34,-4.73,;13.67,-5.5,;11,-5.5,;11,-7.04,;9.67,-7.81,;9.67,-9.35,;11.01,-10.12,;12.34,-9.35,;12.34,-7.8,;13.67,-7.03,;15,-7.79,)| Show InChI InChI=1S/C15H18N2O3S/c1-3-4-9-21-15-16-13(18)10-14(19)17(15)11-7-5-6-8-12(11)20-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541311 (CHEMBL4640095) Show SMILES CCCSc1nc(=O)c(C)c(O)n1-c1ccccc1OC |(22.4,-5.23,;23.73,-6,;25.06,-5.22,;26.4,-5.99,;27.73,-5.22,;27.73,-3.67,;29.07,-2.9,;29.07,-1.36,;30.4,-3.67,;31.74,-2.91,;30.4,-5.21,;31.74,-5.98,;29.07,-5.98,;29.07,-7.51,;27.74,-8.28,;27.74,-9.83,;29.07,-10.6,;30.41,-9.83,;30.4,-8.28,;31.73,-7.5,;33.07,-8.27,)| Show InChI InChI=1S/C15H18N2O3S/c1-4-9-21-15-16-13(18)10(2)14(19)17(15)11-7-5-6-8-12(11)20-3/h5-8,19H,4,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541312 (CHEMBL4646012) Show SMILES CCCSc1nc(=O)c(CC)c(O)n1-c1ccccc1OC |(39.11,-5.05,;40.45,-5.82,;41.78,-5.04,;43.11,-5.81,;44.45,-5.04,;44.45,-3.49,;45.78,-2.72,;45.78,-1.18,;47.12,-3.5,;48.45,-2.73,;49.78,-3.5,;47.12,-5.03,;48.45,-5.8,;45.78,-5.8,;45.78,-7.33,;44.45,-8.1,;44.45,-9.65,;45.79,-10.42,;47.12,-9.65,;47.12,-8.1,;48.45,-7.32,;49.78,-8.09,)| Show InChI InChI=1S/C16H20N2O3S/c1-4-10-22-16-17-14(19)11(5-2)15(20)18(16)12-8-6-7-9-13(12)21-3/h6-9,20H,4-5,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541313 (CHEMBL4634841) Show SMILES CCCCc1c(O)n(c(SCCC)nc1=O)-c1ccccc1OC |(68.54,-3.86,;67.2,-3.09,;65.87,-3.86,;64.54,-3.08,;63.2,-3.85,;63.2,-5.39,;64.54,-6.16,;61.87,-6.16,;60.53,-5.4,;59.2,-6.17,;57.86,-5.4,;56.53,-6.17,;55.2,-5.41,;60.53,-3.85,;61.87,-3.08,;61.87,-1.54,;61.87,-7.69,;60.54,-8.46,;60.54,-10.01,;61.87,-10.78,;63.21,-10.01,;63.2,-8.46,;64.53,-7.68,;65.87,-8.45,)| Show InChI InChI=1S/C18H24N2O3S/c1-4-6-9-13-16(21)19-18(24-12-5-2)20(17(13)22)14-10-7-8-11-15(14)23-3/h7-8,10-11,22H,4-6,9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541314 (CHEMBL4639908) Show SMILES CCCSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1OC |(74.39,-5.52,;75.72,-6.29,;77.05,-5.52,;78.39,-6.29,;79.72,-5.51,;79.72,-3.97,;81.06,-3.2,;81.06,-1.66,;82.39,-3.97,;83.72,-3.2,;85.06,-3.97,;85.05,-5.51,;86.38,-6.28,;87.72,-5.51,;87.71,-3.96,;86.38,-3.2,;82.39,-5.5,;83.72,-6.27,;81.06,-6.27,;81.06,-7.81,;79.73,-8.58,;79.72,-10.12,;81.06,-10.89,;82.4,-10.12,;82.39,-8.57,;83.72,-7.8,;85.06,-8.56,)| Show InChI InChI=1S/C21H22N2O3S/c1-3-13-27-21-22-19(24)16(14-15-9-5-4-6-10-15)20(25)23(21)17-11-7-8-12-18(17)26-2/h4-12,25H,3,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541315 (CHEMBL4635091) Show SMILES CCCSc1nc(=O)c(CC=C)c(O)n1-c1ccccc1OC |(3.13,-20.21,;4.46,-20.97,;5.79,-20.2,;7.13,-20.97,;8.46,-20.2,;8.46,-18.65,;9.8,-17.88,;9.8,-16.34,;11.13,-18.65,;12.46,-17.88,;13.8,-18.66,;15.13,-17.89,;11.13,-20.19,;12.46,-20.96,;9.8,-20.96,;9.8,-22.49,;8.47,-23.26,;8.46,-24.81,;9.8,-25.58,;11.14,-24.81,;11.13,-23.26,;12.46,-22.48,;13.8,-23.25,)| Show InChI InChI=1S/C17H20N2O3S/c1-4-8-12-15(20)18-17(23-11-5-2)19(16(12)21)13-9-6-7-10-14(13)22-3/h4,6-7,9-10,21H,1,5,8,11H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541316 (CHEMBL4644283) Show SMILES CCCSc1nc(=O)c(C(C)C)c(O)n1-c1ccccc1OC |(22.01,-20.43,;23.35,-21.19,;24.68,-20.42,;26.01,-21.19,;27.34,-20.42,;27.35,-18.87,;28.68,-18.1,;28.68,-16.56,;30.01,-18.87,;31.35,-18.1,;32.68,-18.87,;31.35,-16.56,;30.02,-20.41,;31.35,-21.17,;28.68,-21.18,;28.68,-22.71,;27.35,-23.48,;27.35,-25.03,;28.68,-25.8,;30.02,-25.02,;30.02,-23.47,;31.35,-22.7,;32.68,-23.46,)| Show InChI InChI=1S/C17H22N2O3S/c1-5-10-23-17-18-15(20)14(11(2)3)16(21)19(17)12-8-6-7-9-13(12)22-4/h6-9,11,21H,5,10H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541317 (CHEMBL4637001) Show SMILES CCCCc1nc(=O)cc(O)n1-c1ccccc1OC |(21.92,-35.82,;23.25,-36.58,;24.58,-35.81,;25.92,-36.58,;27.25,-35.81,;27.25,-34.26,;28.59,-33.49,;28.59,-31.95,;29.92,-34.26,;29.92,-35.8,;31.25,-36.57,;28.59,-36.57,;28.59,-38.1,;29.92,-38.87,;29.93,-40.42,;28.59,-41.19,;27.26,-40.42,;27.26,-38.87,;25.92,-38.1,;24.59,-38.87,)| Show InChI InChI=1S/C15H18N2O3/c1-3-4-9-13-16-14(18)10-15(19)17(13)11-7-5-6-8-12(11)20-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541317 (CHEMBL4637001) Show SMILES CCCCc1nc(=O)cc(O)n1-c1ccccc1OC |(21.92,-35.82,;23.25,-36.58,;24.58,-35.81,;25.92,-36.58,;27.25,-35.81,;27.25,-34.26,;28.59,-33.49,;28.59,-31.95,;29.92,-34.26,;29.92,-35.8,;31.25,-36.57,;28.59,-36.57,;28.59,-38.1,;29.92,-38.87,;29.93,-40.42,;28.59,-41.19,;27.26,-40.42,;27.26,-38.87,;25.92,-38.1,;24.59,-38.87,)| Show InChI InChI=1S/C15H18N2O3/c1-3-4-9-13-16-14(18)10-15(19)17(13)11-7-5-6-8-12(11)20-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541317 (CHEMBL4637001) Show SMILES CCCCc1nc(=O)cc(O)n1-c1ccccc1OC |(21.92,-35.82,;23.25,-36.58,;24.58,-35.81,;25.92,-36.58,;27.25,-35.81,;27.25,-34.26,;28.59,-33.49,;28.59,-31.95,;29.92,-34.26,;29.92,-35.8,;31.25,-36.57,;28.59,-36.57,;28.59,-38.1,;29.92,-38.87,;29.93,-40.42,;28.59,-41.19,;27.26,-40.42,;27.26,-38.87,;25.92,-38.1,;24.59,-38.87,)| Show InChI InChI=1S/C15H18N2O3/c1-3-4-9-13-16-14(18)10-15(19)17(13)11-7-5-6-8-12(11)20-2/h5-8,10,19H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541319 (CHEMBL4645657) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(OC)cccc1OC |(4.98,-51.3,;6.32,-52.06,;7.65,-51.29,;8.99,-52.06,;10.32,-51.29,;10.32,-49.74,;11.66,-48.97,;11.66,-47.43,;12.99,-49.74,;12.99,-51.28,;14.32,-52.04,;11.65,-52.05,;11.66,-53.58,;10.33,-54.35,;8.99,-53.58,;7.66,-54.35,;10.32,-55.9,;11.66,-56.67,;13,-55.89,;12.99,-54.34,;14.32,-53.57,;15.66,-54.33,)| Show InChI InChI=1S/C16H20N2O4/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(21-2)7-6-8-12(16)22-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541320 (CHEMBL4633783) Show SMILES CCCCc1nc(=O)c(Cc2ccc(OC)cc2)c(O)n1-c1c(OC)cccc1OC |(23.06,-50.84,;24.39,-51.6,;25.73,-50.83,;27.06,-51.6,;28.39,-50.83,;28.4,-49.28,;29.73,-48.51,;29.73,-46.97,;31.06,-49.28,;32.4,-48.51,;33.73,-49.28,;33.73,-50.82,;35.06,-51.59,;36.39,-50.82,;37.73,-51.59,;39.06,-50.82,;36.39,-49.28,;35.06,-48.51,;31.06,-50.82,;32.4,-51.59,;29.73,-51.59,;29.73,-53.12,;28.4,-53.89,;27.07,-53.12,;25.73,-53.89,;28.4,-55.44,;29.73,-56.21,;31.07,-55.44,;31.07,-53.88,;32.4,-53.11,;33.73,-53.87,)| Show InChI InChI=1S/C24H28N2O5/c1-5-6-10-21-25-23(27)18(15-16-11-13-17(29-2)14-12-16)24(28)26(21)22-19(30-3)8-7-9-20(22)31-4/h7-9,11-14,28H,5-6,10,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541321 (CHEMBL4638827) Show SMILES CCC(C)Sc1nc(=O)cc(O)n1CC=C Show InChI InChI=1S/C11H16N2O2S/c1-4-6-13-10(15)7-9(14)12-11(13)16-8(3)5-2/h4,7-8,15H,1,5-6H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541322 (CHEMBL4639193) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)O1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C69H107N21O17S/c1-39(2)32-46(84-57(95)43(17-9-26-76-68(71)72)81-62(100)51-20-12-29-89(51)65(103)44(18-10-27-77-69(73)74)83-64(102)53-22-23-55(93)107-53)58(96)87-49(37-91)60(98)85-47(34-41-35-75-38-79-41)59(97)80-42(16-7-8-25-70)56(94)78-36-54(92)88-28-11-19-50(88)61(99)82-45(24-31-108-3)66(104)90-30-13-21-52(90)63(101)86-48(67(105)106)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,91H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,94)(H,80,97)(H,81,100)(H,82,99)(H,83,102)(H,84,95)(H,85,98)(H,86,101)(H,87,96)(H,105,106)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50541318 (CHEMBL4632688) Show SMILES CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC |(56.29,-35.76,;57.62,-36.53,;58.95,-35.76,;60.29,-36.53,;61.62,-35.75,;61.62,-34.21,;62.96,-33.44,;62.96,-31.9,;64.29,-34.21,;64.29,-35.74,;65.63,-36.51,;62.96,-36.51,;62.96,-38.05,;64.29,-38.81,;65.62,-38.04,;64.3,-40.36,;62.96,-41.13,;61.63,-40.36,;61.63,-38.82,;60.29,-38.05,;58.96,-38.82,)| Show InChI InChI=1S/C16H20N2O3/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(2)7-6-8-12(16)21-3/h6-8,10,20H,4-5,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.40E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at PXR (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541299 (CHEMBL4648809) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1C |(75.63,-6.41,;76.97,-7.18,;78.3,-6.4,;79.64,-7.17,;80.97,-6.4,;80.97,-4.85,;82.3,-4.08,;82.31,-2.54,;83.64,-4.86,;83.64,-6.39,;84.97,-7.16,;82.3,-7.16,;82.3,-8.69,;80.97,-9.46,;80.97,-11.01,;82.31,-11.78,;83.64,-11.01,;83.64,-9.46,;84.97,-8.68,)| Show InChI InChI=1S/C14H16N2O2S/c1-3-8-19-14-15-12(17)9-13(18)16(14)11-7-5-4-6-10(11)2/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541298 (CHEMBL4639386) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-4-6-11(19-2)7-5-10/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541297 (CHEMBL4644105) Show SMILES CCCSc1nc(=O)cc(O)n1-c1cccc(OC)c1 Show InChI InChI=1S/C14H16N2O3S/c1-3-7-20-14-15-12(17)9-13(18)16(14)10-5-4-6-11(8-10)19-2/h4-6,8-9,18H,3,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541295 (CHEMBL4635526) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1 Show InChI InChI=1S/C13H14N2O2S/c1-2-8-18-13-14-11(16)9-12(17)15(13)10-6-4-3-5-7-10/h3-7,9,17H,2,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50541296 (CHEMBL4636169) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1OC |(38.91,-20.71,;40.24,-21.48,;41.58,-20.71,;42.91,-21.47,;44.24,-20.7,;44.25,-19.16,;45.58,-18.39,;45.58,-16.85,;46.91,-19.16,;46.91,-20.69,;48.25,-21.46,;45.58,-21.46,;45.58,-23,;44.25,-23.77,;44.25,-25.31,;45.58,-26.08,;46.92,-25.31,;46.91,-23.76,;48.24,-22.99,;49.58,-23.75,)| Show InChI InChI=1S/C14H16N2O3S/c1-3-8-20-14-15-12(17)9-13(18)16(14)10-6-4-5-7-11(10)19-2/h4-7,9,18H,3,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	64	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
					More data for this Ligand-Target Pair