Compile Data Set for Download or QSAR
Found 29 Enz. Inhib. hit(s) with all data for entry = 50007072
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50014619(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
Affinity DataEC50:  0.0470nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506018(CHEMBL4435973)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.0930nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506017(CHEMBL4547328)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)c2ccccc2)cc1F
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
Affinity DataEC50:  59nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Rattus norvegicus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506018(CHEMBL4435973)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.120nMAssay 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...More data for this Ligand-Target Pair
TargetApelin receptor(Rattus norvegicus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506019(CHEMBL4473347)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.120nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Rattus norvegicus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50014619(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
Affinity DataEC50:  0.0620nMAssay 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...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506019(CHEMBL4473347)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.0620nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506020(CHEMBL4450702)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(C)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.180nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506018(CHEMBL4435973)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.200nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506021(CHEMBL4526882)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  9nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506022(CHEMBL4561041)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cccc(Cl)c1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  2.10E+3nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506023(CHEMBL4525712)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccccc2o1)c1ccccc1
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
Affinity DataEC50:  4.90E+3nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506024(CHEMBL4461195)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccncc2[nH]1)c1ccccc1
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
Affinity DataEC50:  19nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506025(CHEMBL4454971)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(C)ccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.600nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506026(CHEMBL4437206)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  1.40nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506027(CHEMBL4587131)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1
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
Affinity DataEC50:  0.330nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506028(CHEMBL4444303)
Show SMILES COC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1
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
Affinity DataEC50:  0.190nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506029(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)
Affinity DataEC50:  29nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506030(CHEMBL4565753)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  5.70nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506031(CHEMBL4562873)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(Cl)ccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.310nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506018(CHEMBL4435973)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  22nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506032(CHEMBL4578949)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(OC)ccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  5.70nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506033(CHEMBL4473653)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(F)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.510nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506034(CHEMBL4444538)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(C)ccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  1.5nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506035(CHEMBL4437702)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cccc(C)c2[nH]1)c1ccccc1
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
Affinity DataEC50:  51nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506036(CHEMBL4443604)
Show SMILES COC[C@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1
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
Affinity DataEC50:  2.70nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Rattus norvegicus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506018(CHEMBL4435973)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  43nMAssay 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...More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506037(CHEMBL4518406)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2cc(OC)ccc2[nH]1)c1ccccc1
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
Affinity DataEC50:  0.0830nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50506016(CHEMBL4569052)
Show SMILES CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1ncc([nH]1)-c1ccccc1)c1ccccc1
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
Affinity DataEC50:  7.40nMAssay Description:Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid