Compile Data Set for Download or QSAR
Found 23 of affinity data for UniProtKB/TrEMBL: Q9WV08
TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50571385(CHEMBL4875417)
Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
Show InChI InChI=1S/C31H45N5O4.ClH/c1-39-27-14-9-15-28(40-2)30(27)26-21-25(34-36(26)24-12-4-5-13-24)31(38)33-23(16-19-35-17-6-3-7-18-35)20-29(37)32-22-10-8-11-22;/h9,14-15,21-24H,3-8,10-13,16-20H2,1-2H3,(H,32,37)(H,33,38);1H/t23-;/m0./s1
Affinity DataEC50:  22nMAssay Description:Agonist activity at Galphaq16-fused mouse APJ receptor expressed in CHO cells assessed as stimulation of Ca2+ mobilization incubated for 1 hr by Calc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetApelin receptor(Mus musculus)
RTI International

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 DataKd:  4.5nMAssay Description:Displacement of [125I]Apelin13 from mouse APJ receptor expressed in HEK293T cells incubated for 1 hr by gamma counter methodMore data for this Ligand-Target Pair
TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567159(CHEMBL4874447)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27FN2O6S/c1-4-5-9-24-30-27(32)26(28(33)31(24)25-22(36-2)7-6-8-23(25)37-3)38(34,35)21-16-12-19(13-17-21)18-10-14-20(29)15-11-18/h6-8,10-17,33H,4-5,9H2,1-3H3
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567160(CHEMBL4873216)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C27H27N3O6S/c1-4-5-11-23-29-26(31)25(27(32)30(23)24-21(35-2)9-6-10-22(24)36-3)37(33,34)20-14-12-18(13-15-20)19-8-7-16-28-17-19/h6-10,12-17,32H,4-5,11H2,1-3H3
Affinity DataEC50:  0.0500nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422138(2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC
Show InChI InChI=1S/C28H29N3O7S/c1-5-6-12-23-30-26(32)25(28(33)31(23)24-21(36-2)10-7-11-22(24)37-3)39(34,35)19-15-13-18(14-16-19)20-9-8-17-29-27(20)38-4/h7-11,13-17,33H,5-6,12H2,1-4H3
Affinity DataEC50:  0.0300nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422122(2-butyl-1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropy...)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1
Show InChI InChI=1S/C27H26FN3O6S/c1-4-5-9-23-30-26(32)25(27(33)31(23)24-20(36-2)7-6-8-21(24)37-3)38(34,35)19-13-10-17(11-14-19)18-12-15-22(28)29-16-18/h6-8,10-16,33H,4-5,9H2,1-3H3
Affinity DataEC50:  0.0200nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422180(2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(...)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C27H27N3O7S/c1-4-5-11-22-28-26(32)25(27(33)30(22)24-20(36-2)9-8-10-21(24)37-3)38(34,35)19-15-13-18(14-16-19)29-17-7-6-12-23(29)31/h6-10,12-17,33H,4-5,11H2,1-3H3
Affinity DataEC50:  0.0300nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567161(CHEMBL4850818)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(Cl)ccc1=O
Show InChI InChI=1S/C27H26ClN3O7S/c1-4-5-9-22-29-26(33)25(27(34)31(22)24-20(37-2)7-6-8-21(24)38-3)39(35,36)19-13-11-18(12-14-19)30-16-17(28)10-15-23(30)32/h6-8,10-16,34H,4-5,9H2,1-3H3
Affinity DataEC50:  0.0200nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567162(CHEMBL4866318)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO6S/c1-4-5-7-22-25(26-23(36-2)8-6-9-24(26)37-3)27(32)28(29(33)31-22)38(34,35)21-16-12-19(13-17-21)18-10-14-20(30)15-11-18/h6,8-17H,4-5,7H2,1-3H3,(H2,31,32,33)
Affinity DataEC50:  34nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567163(CHEMBL4863554)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccncc1C
Show InChI InChI=1S/C29H30N2O6S/c1-5-6-8-22-25(26-23(36-3)9-7-10-24(26)37-4)27(32)28(29(33)31-22)38(34,35)20-13-11-19(12-14-20)21-15-16-30-17-18(21)2/h7,9-17H,5-6,8H2,1-4H3,(H2,31,32,33)
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567164(CHEMBL4848436)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1cccnc1OC
Show InChI InChI=1S/C29H30N2O7S/c1-5-6-10-21-24(25-22(36-2)11-7-12-23(25)37-3)26(32)27(28(33)31-21)39(34,35)19-15-13-18(14-16-19)20-9-8-17-30-29(20)38-4/h7-9,11-17H,5-6,10H2,1-4H3,(H2,31,32,33)
Affinity DataEC50:  0.200nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567165(CHEMBL4873432)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1
Show InChI InChI=1S/C28H27FN2O6S/c1-4-5-7-20-24(25-21(36-2)8-6-9-22(25)37-3)26(32)27(28(33)31-20)38(34,35)19-13-10-17(11-14-19)18-12-15-23(29)30-16-18/h6,8-16H,4-5,7H2,1-3H3,(H2,31,32,33)
Affinity DataEC50:  5nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567166(CHEMBL4850182)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O
Show InChI InChI=1S/C28H28N2O7S/c1-4-5-9-20-24(25-21(36-2)10-8-11-22(25)37-3)26(32)27(28(33)29-20)38(34,35)19-15-13-18(14-16-19)30-17-7-6-12-23(30)31/h6-8,10-17H,4-5,9H2,1-3H3,(H2,29,32,33)
Affinity DataEC50:  2nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567167(CHEMBL4872192)
Show SMILES CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(Cl)ccc1=O
Show InChI InChI=1S/C28H27ClN2O7S/c1-4-5-7-20-24(25-21(37-2)8-6-9-22(25)38-3)26(33)27(28(34)30-20)39(35,36)19-13-11-18(12-14-19)31-16-17(29)10-15-23(31)32/h6,8-16H,4-5,7H2,1-3H3,(H2,30,33,34)
Affinity DataEC50:  0.100nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422120(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)
Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1CCC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1
Show InChI InChI=1S/C28H28FN3O6S/c1-17(2)8-15-24-31-27(33)26(28(34)32(24)25-21(37-3)6-5-7-22(25)38-4)39(35,36)20-12-9-18(10-13-20)19-11-14-23(29)30-16-19/h5-7,9-14,16-17,34H,8,15H2,1-4H3
Affinity DataEC50:  0.0500nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422140(1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3-...)
Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1COC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1
Show InChI InChI=1S/C27H26FN3O7S/c1-16(2)38-15-23-30-26(32)25(27(33)31(23)24-20(36-3)6-5-7-21(24)37-4)39(34,35)19-11-8-17(9-12-19)18-10-13-22(28)29-14-18/h5-14,16,33H,15H2,1-4H3
Affinity DataEC50:  0.0300nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422110(5-(benzenesulfonyl)-2- butyl-1-(2,6- dimethoxyphen...)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O6S/c1-4-5-14-18-23-21(25)20(31(27,28)15-10-7-6-8-11-15)22(26)24(18)19-16(29-2)12-9-13-17(19)30-3/h6-13,26H,4-5,14H2,1-3H3
Affinity DataEC50:  1nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422171(2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-(4- ...)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H26N2O6S/c1-5-6-10-19-24-22(26)21(32(28,29)16-13-11-15(2)12-14-16)23(27)25(19)20-17(30-3)8-7-9-18(20)31-4/h7-9,11-14,27H,5-6,10H2,1-4H3
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567168(CHEMBL4864542)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1
Show InChI InChI=1S/C25H28N2O6S/c1-4-5-9-21-26-24(28)23(34(30,31)18-14-12-17(13-15-18)16-10-11-16)25(29)27(21)22-19(32-2)7-6-8-20(22)33-3/h6-8,12-16,29H,4-5,9-11H2,1-3H3
Affinity DataEC50:  0.0300nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422192(2-cyclopentyl-5-(4- cyclopropylbenzene- sulfonyl)-...)
Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1C1CCCC1)S(=O)(=O)c1ccc(cc1)C1CC1
Show InChI InChI=1S/C26H28N2O6S/c1-33-20-8-5-9-21(34-2)22(20)28-24(18-6-3-4-7-18)27-25(29)23(26(28)30)35(31,32)19-14-12-17(13-15-19)16-10-11-16/h5,8-9,12-16,18,30H,3-4,6-7,10-11H2,1-2H3
Affinity DataEC50:  0.400nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422376(5-(4- cyclopropylbenzene- sulfonyl)-1-(2,6- dimeth...)
Show SMILES COc1cccc(OC)c1-n1c(O)c(c(=O)nc1-c1cncc(C)c1)S(=O)(=O)c1ccc(cc1)C1CC1
Show InChI InChI=1S/C27H25N3O6S/c1-16-13-19(15-28-14-16)25-29-26(31)24(37(33,34)20-11-9-18(10-12-20)17-7-8-17)27(32)30(25)23-21(35-2)5-4-6-22(23)36-3/h4-6,9-15,17,32H,7-8H2,1-3H3
Affinity DataEC50:  5nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM50567169(CHEMBL4873876)
Show SMILES CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cn3)o2)c(O)c1-c1c(OC)cccc1OC
Show InChI InChI=1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)
Affinity DataEC50:  0.0270nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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TargetApelin receptor(Mus musculus)
RTI International

Curated by ChEMBL
LigandPNGBDBM422160(N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydr...)
Show SMILES CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C31H32N4O7S/c1-4-5-9-26-34-30(37)28(31(38)35(26)27-23(41-2)7-6-8-24(27)42-3)43(39,40)22-14-12-19(13-15-22)21-16-17-32-25(18-21)33-29(36)20-10-11-20/h6-8,12-18,20,38H,4-5,9-11H2,1-3H3,(H,32,33,36)
Affinity DataEC50:  0.0400nMAssay Description:Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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