Compile Data Set for Download or QSAR

Found 233 hits with Last Name = 'gargalovic' and Initial = 'ps'   

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
Apelin receptor (Homo sapiens (Human))	BDBM50588316 (CHEMBL5170657) Show SMILES CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(Cl)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(52.86,-13.07,;51.52,-12.3,;50.19,-13.08,;50.2,-14.63,;48.85,-15.4,;47.52,-14.63,;47.52,-13.08,;46.19,-12.31,;44.85,-13.08,;48.85,-12.31,;48.78,-9.76,;50.12,-9,;51.45,-9.76,;50.11,-7.46,;51.44,-6.68,;51.44,-5.14,;52.78,-7.45,;52.94,-8.98,;54.45,-9.29,;55.22,-7.96,;54.18,-6.81,;56.75,-7.79,;57.36,-6.38,;58.88,-6.21,;59.8,-7.46,;61.34,-7.3,;59.18,-8.87,;57.65,-9.04,;57.03,-10.45,;48.77,-6.69,;48.76,-5.15,;47.44,-7.47,;47.45,-9.01,;46.12,-9.79,;44.71,-9.16,;43.69,-10.32,;44.47,-11.65,;43.86,-13.06,;45.98,-11.32,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01504 BindingDB Entry DOI: 10.7270/Q21V5JX5
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50567169 (CHEMBL4873876) Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC |(19.32,-34.97,;20.66,-35.74,;21.99,-34.96,;23.33,-35.72,;24.66,-34.94,;24.64,-33.41,;25.98,-32.63,;25.97,-31.09,;27.32,-33.39,;28.65,-32.62,;28.8,-31.09,;30.31,-30.76,;31.08,-32.09,;32.61,-32.25,;33.24,-33.66,;34.77,-33.81,;35.4,-35.21,;34.5,-36.46,;35.12,-37.87,;32.96,-36.3,;32.34,-34.9,;30.05,-33.24,;27.32,-34.93,;28.65,-35.71,;25.99,-35.7,;26,-37.24,;24.67,-38.01,;23.34,-37.25,;22.01,-38.02,;24.67,-39.55,;26,-40.32,;27.34,-39.55,;27.33,-38,;28.67,-37.23,;30,-38,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01878 BindingDB Entry DOI: 10.7270/Q20G3PXZ
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014619 (CHEMBL3184840) 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)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(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	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01878 BindingDB Entry DOI: 10.7270/Q20G3PXZ
					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
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
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))	BDBM50014619 (CHEMBL3184840) 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)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(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	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0470	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506016 (CHEMBL4569052) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1ncc([nH]1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H28ClN3O3/c1-2-9-29(21-10-5-3-6-11-21)37-32(38)23-14-16-25(28(18-23)33(39)40)27-19-24(34)15-17-26(27)31-35-20-30(36-31)22-12-7-4-8-13-22/h3-8,10-20,29H,2,9H2,1H3,(H,35,36)(H,37,38)(H,39,40)/t29-/m1/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	7.40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506017 (CHEMBL4547328) Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)c2ccccc2)cc1F |r| Show InChI InChI=1S/C30H24ClFN2O6/c1-40-27-12-9-20(15-25(27)32)33-29(37)22-11-8-19(31)14-23(22)21-10-7-18(13-24(21)30(38)39)28(36)34-26(16-35)17-5-3-2-4-6-17/h2-15,26,35H,16H2,1H3,(H,33,37)(H,34,36)(H,38,39)/t26-/m1/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	59	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Rattus norvegicus)	BDBM50506018 (CHEMBL4435973) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HT...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Rattus norvegicus)	BDBM50506019 (CHEMBL4473347) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1 |r,wD:3.37,(50.15,-45.98,;51.48,-45.21,;52.81,-45.98,;54.15,-45.21,;55.49,-45.97,;56.82,-45.2,;56.82,-43.66,;58.16,-45.97,;58.16,-47.52,;59.5,-48.28,;60.83,-47.51,;60.83,-45.97,;59.49,-45.2,;62.16,-45.2,;62.16,-43.66,;63.49,-45.97,;62.15,-48.28,;63.48,-47.51,;64.24,-46.17,;64.82,-48.28,;64.82,-49.83,;63.48,-50.6,;62.15,-49.83,;60.82,-50.6,;60.66,-52.13,;59.15,-52.45,;58.38,-53.78,;56.85,-53.78,;56.09,-55.11,;54.55,-55.11,;56.07,-52.44,;56.85,-51.12,;58.39,-51.12,;59.42,-49.98,;54.15,-43.67,;55.48,-42.9,;55.48,-41.36,;54.14,-40.59,;52.8,-41.37,;52.81,-42.9,)| Show InChI InChI=1S/C32H28ClN3O4/c1-3-8-26(19-9-5-4-6-10-19)36-31(37)20-13-15-22(24(17-20)32(38)39)29-23(11-7-12-25(29)33)30-34-27-16-14-21(40-2)18-28(27)35-30/h4-7,9-18,26H,3,8H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HT...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Rattus norvegicus)	BDBM50014619 (CHEMBL3184840) 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)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0620	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HT...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506019 (CHEMBL4473347) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1 |r,wD:3.37,(50.15,-45.98,;51.48,-45.21,;52.81,-45.98,;54.15,-45.21,;55.49,-45.97,;56.82,-45.2,;56.82,-43.66,;58.16,-45.97,;58.16,-47.52,;59.5,-48.28,;60.83,-47.51,;60.83,-45.97,;59.49,-45.2,;62.16,-45.2,;62.16,-43.66,;63.49,-45.97,;62.15,-48.28,;63.48,-47.51,;64.24,-46.17,;64.82,-48.28,;64.82,-49.83,;63.48,-50.6,;62.15,-49.83,;60.82,-50.6,;60.66,-52.13,;59.15,-52.45,;58.38,-53.78,;56.85,-53.78,;56.09,-55.11,;54.55,-55.11,;56.07,-52.44,;56.85,-51.12,;58.39,-51.12,;59.42,-49.98,;54.15,-43.67,;55.48,-42.9,;55.48,-41.36,;54.14,-40.59,;52.8,-41.37,;52.81,-42.9,)| Show InChI InChI=1S/C32H28ClN3O4/c1-3-8-26(19-9-5-4-6-10-19)36-31(37)20-13-15-22(24(17-20)32(38)39)29-23(11-7-12-25(29)33)30-34-27-16-14-21(40-2)18-28(27)35-30/h4-7,9-18,26H,3,8H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t26-/m1/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	0.0620	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506020 (CHEMBL4450702) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(C)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(52.74,-6.81,;54.08,-6.04,;55.41,-6.81,;56.75,-6.04,;58.09,-6.8,;59.42,-6.03,;59.42,-4.49,;60.76,-6.8,;60.76,-8.35,;62.09,-9.11,;63.42,-8.34,;63.42,-6.8,;62.09,-6.03,;64.76,-6.03,;64.76,-4.49,;66.09,-6.8,;64.75,-9.11,;66.08,-8.34,;66.84,-6.99,;67.42,-9.11,;67.42,-10.66,;66.08,-11.43,;64.75,-10.66,;63.41,-11.43,;62.01,-10.81,;60.99,-11.95,;59.45,-11.95,;58.67,-13.27,;59.45,-14.61,;60.98,-14.61,;61.75,-13.28,;63.26,-12.96,;56.75,-4.5,;58.08,-3.73,;58.08,-2.19,;56.74,-1.42,;55.4,-2.2,;55.41,-3.74,)| Show InChI InChI=1S/C32H29N3O3/c1-3-10-26(21-12-5-4-6-13-21)35-31(36)22-17-18-23(25(19-22)32(37)38)29-20(2)11-9-14-24(29)30-33-27-15-7-8-16-28(27)34-30/h4-9,11-19,26H,3,10H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)/t26-/m1/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	0.180	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506018 (CHEMBL4435973) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0930	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506021 (CHEMBL4526882) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C31H26ClN3O3/c1-2-8-26(19-9-4-3-5-10-19)35-30(36)20-13-15-23(25(17-20)31(37)38)22-16-14-21(32)18-24(22)29-33-27-11-6-7-12-28(27)34-29/h3-7,9-18,26H,2,8H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t26-/m1/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	9	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506022 (CHEMBL4561041) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cccc(Cl)c1-c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)22-12-8-13-24(32)28(22)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/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	2.10E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506023 (CHEMBL4525712) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccccc2o1)c1ccccc1 |r| Show InChI InChI=1S/C31H25ClN2O4/c1-2-8-26(19-9-4-3-5-10-19)33-29(35)20-13-15-22(25(17-20)31(36)37)24-18-21(32)14-16-23(24)30-34-27-11-6-7-12-28(27)38-30/h3-7,9-18,26H,2,8H2,1H3,(H,33,35)(H,36,37)/t26-/m1/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	4.90E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506024 (CHEMBL4461195) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccncc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C30H25ClN4O3/c1-2-6-25(18-7-4-3-5-8-18)35-29(36)19-9-11-21(24(15-19)30(37)38)23-16-20(31)10-12-22(23)28-33-26-13-14-32-17-27(26)34-28/h3-5,7-17,25H,2,6H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/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	19	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506025 (CHEMBL4454971) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(C)ccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C32H28ClN3O3/c1-3-7-27(20-8-5-4-6-9-20)36-31(37)21-11-13-23(26(17-21)32(38)39)25-18-22(33)12-14-24(25)30-34-28-15-10-19(2)16-29(28)35-30/h4-6,8-18,27H,3,7H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-/m1/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	0.600	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506026 (CHEMBL4437206) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C31H26ClN3O3/c1-2-8-26(19-9-4-3-5-10-19)35-30(36)20-13-15-22(25(17-20)31(37)38)24-18-21(32)14-16-23(24)29-33-27-11-6-7-12-28(27)34-29/h3-7,9-18,26H,2,8H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t26-/m1/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	1.40	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506027 (CHEMBL4587131) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C32H28ClFN2O5/c1-3-7-28(19-8-5-4-6-9-19)36-30(37)20-10-13-23(26(16-20)32(39)40)25-17-21(33)11-14-24(25)31(38)35-22-12-15-29(41-2)27(34)18-22/h4-6,8-18,28H,3,7H2,1-2H3,(H,35,38)(H,36,37)(H,39,40)/t28-/m1/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	0.330	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506028 (CHEMBL4444303) Show SMILES COC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C31H26ClFN2O6/c1-40-17-27(18-6-4-3-5-7-18)35-29(36)19-8-11-22(25(14-19)31(38)39)24-15-20(32)9-12-23(24)30(37)34-21-10-13-28(41-2)26(33)16-21/h3-16,27H,17H2,1-2H3,(H,34,37)(H,35,36)(H,38,39)/t27-/m1/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	0.190	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506029 (CHEMBL4441946) Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)Nc2ccc3CCCc3c2)cc1F Show InChI InChI=1S/C31H24ClFN2O5/c1-40-28-12-9-22(16-27(28)33)35-30(37)24-11-7-20(32)15-25(24)23-10-6-19(14-26(23)31(38)39)29(36)34-21-8-5-17-3-2-4-18(17)13-21/h5-16H,2-4H2,1H3,(H,34,36)(H,35,37)(H,38,39)	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	29	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506030 (CHEMBL4565753) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C31H27N3O3/c1-2-10-26(20-11-4-3-5-12-20)34-30(35)21-17-18-23(25(19-21)31(36)37)22-13-6-7-14-24(22)29-32-27-15-8-9-16-28(27)33-29/h3-9,11-19,26H,2,10H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t26-/m1/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	5.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506031 (CHEMBL4562873) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C31H25Cl2N3O3/c1-2-6-26(18-7-4-3-5-8-18)36-30(37)19-9-12-22(25(15-19)31(38)39)24-16-20(32)10-13-23(24)29-34-27-14-11-21(33)17-28(27)35-29/h3-5,7-17,26H,2,6H2,1H3,(H,34,35)(H,36,37)(H,38,39)/t26-/m1/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	0.310	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506018 (CHEMBL4435973) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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 Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506032 (CHEMBL4578949) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(OC)ccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C32H29N3O4/c1-3-9-27(20-10-5-4-6-11-20)35-31(36)21-14-16-23(26(18-21)32(37)38)25-19-22(39-2)15-17-24(25)30-33-28-12-7-8-13-29(28)34-30/h4-8,10-19,27H,3,9H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)/t27-/m1/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	5.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506033 (CHEMBL4473653) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(F)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(27.17,-6.87,;28.49,-6.1,;29.83,-6.87,;31.16,-6.1,;32.5,-6.86,;33.84,-6.1,;33.83,-4.55,;35.17,-6.86,;35.18,-8.41,;36.51,-9.18,;37.84,-8.4,;37.84,-6.86,;36.51,-6.09,;39.17,-6.09,;39.17,-4.55,;40.51,-6.86,;39.17,-9.18,;40.5,-8.4,;41.25,-7.06,;41.83,-9.17,;41.84,-10.72,;40.5,-11.49,;39.16,-10.72,;37.84,-11.49,;36.43,-10.87,;35.4,-12.01,;33.87,-12.01,;33.09,-13.33,;33.86,-14.67,;35.4,-14.67,;36.16,-13.34,;37.67,-13.03,;31.16,-4.56,;32.5,-3.79,;32.49,-2.25,;31.16,-1.48,;29.82,-2.26,;29.83,-3.8,)| Show InChI InChI=1S/C31H26FN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/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	0.510	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506034 (CHEMBL4444538) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(C)ccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C32H29N3O3/c1-3-9-27(21-10-5-4-6-11-21)35-31(36)22-15-17-23(26(19-22)32(37)38)25-18-20(2)14-16-24(25)30-33-28-12-7-8-13-29(28)34-30/h4-8,10-19,27H,3,9H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)/t27-/m1/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	1.5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506035 (CHEMBL4437702) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cccc(C)c2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C32H28ClN3O3/c1-3-8-27(20-10-5-4-6-11-20)35-31(37)21-13-15-23(26(17-21)32(38)39)25-18-22(33)14-16-24(25)30-34-28-12-7-9-19(2)29(28)36-30/h4-7,9-18,27H,3,8H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)/t27-/m1/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	51	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506036 (CHEMBL4443604) Show SMILES COC[C@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C31H26ClFN2O6/c1-40-17-27(18-6-4-3-5-7-18)35-29(36)19-8-11-22(25(14-19)31(38)39)24-15-20(32)9-12-23(24)30(37)34-21-10-13-28(41-2)26(33)16-21/h3-16,27H,17H2,1-2H3,(H,34,37)(H,35,36)(H,38,39)/t27-/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	2.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Rattus norvegicus)	BDBM50506018 (CHEMBL4435973) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HT...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506037 (CHEMBL4518406) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C32H28ClN3O4/c1-3-7-27(19-8-5-4-6-9-19)36-31(37)20-10-13-23(26(16-20)32(38)39)25-17-21(33)11-14-24(25)30-34-28-15-12-22(40-2)18-29(28)35-30/h4-6,8-18,27H,3,7H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-/m1/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	0.0830	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50506018 (CHEMBL4435973) Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)| Show InChI InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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 Curated by ChEMBL					Assay Description Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...				J Med Chem 62: 10456-10465 (2019) Article DOI: 10.1021/acs.jmedchem.9b01513 BindingDB Entry DOI: 10.7270/Q2RN3C5X
					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
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))	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))	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))	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

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