Compile Data Set for Download or QSAR
Found 420 of ic50 for UniProtKB: P46663
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50156446(CHEMBL359553 | N-{2-[4-(4,5-Dihydro-1H-imidazol-2-...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C31H29N5O4S/c37-29(32-16-15-21-9-11-23(12-10-21)30-33-17-18-34-30)20-28-31(38)35-26-7-3-4-8-27(26)36(28)41(39,40)25-14-13-22-5-1-2-6-24(22)19-25/h1-14,19,28H,15-18,20H2,(H,32,37)(H,33,34)(H,35,38)/t28-/m1/s1
Affinity DataIC50: 0.0400nMAssay Description:Antagonist activity of the compound against human Bradykinin receptor B1 was determined in a fluorescence imaging plate reader assayMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50222656(4-bromo-5-[(2-chlorobenzoyl)amino]-N-[4-[2-(4,5-di...)
Show SMILES Clc1ccccc1C(=O)Nc1n[nH]c(C(=O)Nc2ccc(CCC3=NCCN3)cc2)c1Br
Show InChI InChI=1S/C22H20BrClN6O2/c23-18-19(29-30-20(18)28-21(31)15-3-1-2-4-16(15)24)22(32)27-14-8-5-13(6-9-14)7-10-17-25-11-12-26-17/h1-6,8-9H,7,10-12H2,(H,25,26)(H,27,32)(H2,28,29,30,31)
Affinity DataIC50: 0.0750nMAssay Description:Antagonist activity at human bradykinin B1 receptor in IL1beta stimulated IMR90 cells by FLIPR assayMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362363(CHEMBL1939758)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCC3)ccc12
Show InChI InChI=1S/C28H34N4O4S/c1-20-7-10-23(11-8-20)37(35,36)32-16-13-29-28(34)26(32)18-27(33)30-25-6-4-5-22-17-21(9-12-24(22)25)19-31-14-2-3-15-31/h7-13,16-17,25-26H,2-6,14-15,18-19H2,1H3,(H,29,34)(H,30,33)/t25-,26-/m1/s1
Affinity DataIC50: 0.0840nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50355062(CHEMBL1834752)
Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)cccc12
Show InChI InChI=1S/C31H32FN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1
Affinity DataIC50: 0.0900nMAssay Description:Antagonist activity at human B1 receptor expressed in CHO cells by aequorin-based calcium flux assayMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362366(CHEMBL1939755)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H36N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-14,17-18,26-27H,2-7,15-16,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
Affinity DataIC50: 0.115nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50272455(2-((R)-3-oxo-1-(phenylsulfonyl)-1,2,3,4-tetrahydro...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C31H34N4O5S/c36-30(32-25-15-18-40-29-19-22(13-14-24(25)29)21-34-16-7-2-8-17-34)20-28-31(37)33-26-11-5-6-12-27(26)35(28)41(38,39)23-9-3-1-4-10-23/h1,3-6,9-14,19,25,28H,2,7-8,15-18,20-21H2,(H,32,36)(H,33,37)/t25-,28-/m1/s1
Affinity DataIC50: 0.120nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cellsMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309002(CHEMBL609157 | N-((5'-chloro-3,3'-difluoro-2'-(2-m...)
Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C23H21ClF2N8O4/c1-4-34(30-22(35)18-10-19(37-3)31-38-18)23(36)27-11-13-6-5-12(7-16(13)25)15-8-14(24)9-17(26)20(15)21-28-32-33(2)29-21/h5-10H,4,11H2,1-3H3,(H,27,36)(H,30,35)
Affinity DataIC50: 0.130nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309004((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...)
Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C23H22ClF2N9O4/c1-5-35(31-22(36)17-9-18(38-4)32-39-17)23(37)28-11(2)20-16(26)6-12(10-27-20)14-7-13(24)8-15(25)19(14)21-29-33-34(3)30-21/h6-11H,5H2,1-4H3,(H,28,37)(H,31,36)/t11-/m1/s1
Affinity DataIC50: 0.140nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344111(CHEMBL1777969 | N-((R)-6-((4-methylpiperidin-1-yl)...)
Show SMILES CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)C[C@H]2N(CCNC2=O)S(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C30H40N4O4S/c1-21-6-9-25(10-7-21)39(37,38)34-17-14-31-30(36)28(34)19-29(35)32-27-5-3-4-24-18-23(8-11-26(24)27)20-33-15-12-22(2)13-16-33/h6-11,18,22,27-28H,3-5,12-17,19-20H2,1-2H3,(H,31,36)(H,32,35)/t27-,28-/m1/s1
Affinity DataIC50: 0.140nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50272456(2-((R)-3-oxo-1-tosyl-1,2,3,4-tetrahydroquinoxalin-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C32H36N4O5S/c1-22-9-12-24(13-10-22)42(39,40)36-28-8-4-3-7-27(28)34-32(38)29(36)20-31(37)33-26-15-18-41-30-19-23(11-14-25(26)30)21-35-16-5-2-6-17-35/h3-4,7-14,19,26,29H,2,5-6,15-18,20-21H2,1H3,(H,33,37)(H,34,38)/t26-,29-/m1/s1
Affinity DataIC50: 0.140nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cellsMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50355063(CHEMBL1834619)
Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(Cl)cccc12
Show InChI InChI=1S/C31H32ClN5O2/c1-20-24-8-6-9-26(32)29(24)31(39)37(35-20)28-14-12-23(18-33-28)30(38)34-27-10-5-7-22-17-21(11-13-25(22)27)19-36-15-3-2-4-16-36/h6,8-9,11-14,17-18,27H,2-5,7,10,15-16,19H2,1H3,(H,34,38)/t27-/m1/s1
Affinity DataIC50: 0.180nMAssay Description:Antagonist activity at human B1 receptor expressed in CHO cells by aequorin-based calcium flux assayMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50156455((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
Affinity DataIC50: 0.180nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cellsMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50156455((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
Affinity DataIC50: 0.180nMAssay Description:Antagonist activity at human bradykinin B1 receptor in human MR5 cells assessed as [3H]inositol phosphate accumulationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309621(3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCC(F)(F)CC2)c(F)c1
Show InChI InChI=1S/C21H20ClF4N7O2/c1-32-30-19(29-31-32)18-14(7-12(22)8-16(18)24)11-6-15(23)17(27-9-11)10-28-20(34)33(35)13-2-4-21(25,26)5-3-13/h6-9,13,35H,2-5,10H2,1H3,(H,28,34)
Affinity DataIC50: 0.190nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309003(CHEMBL599153 | N-((5-(5-chloro-3-fluoro-2-(2-methy...)
Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C22H20ClF2N9O4/c1-4-34(30-21(35)17-8-18(37-3)31-38-17)22(36)27-10-16-14(24)5-11(9-26-16)13-6-12(23)7-15(25)19(13)20-28-32-33(2)29-20/h5-9H,4,10H2,1-3H3,(H,27,36)(H,30,35)
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344109(2-((R)-1-(4-chlorophenylsulfonyl)-3-oxopiperazin-2...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C28H35ClN4O4S/c29-22-8-10-23(11-9-22)38(36,37)33-16-13-30-28(35)26(33)18-27(34)31-25-6-4-5-21-17-20(7-12-24(21)25)19-32-14-2-1-3-15-32/h7-12,17,25-26H,1-6,13-16,18-19H2,(H,30,35)(H,31,34)/t25-,26-/m1/s1
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362364(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344100(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
Affinity DataIC50: 0.220nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344100(2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-2-piper...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27-/m1/s1
Affinity DataIC50: 0.220nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362324(CHEMBL1939944)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1
Show InChI InChI=1S/C20H26Cl2N4O4S/c1-20(2)12-25(3)9-7-16(20)24-17(27)11-14-19(28)23-8-10-26(14)31(29,30)15-6-4-5-13(21)18(15)22/h4-6,8,10,14,16H,7,9,11-12H2,1-3H3,(H,23,28)(H,24,27)/t14-,16+/m1/s1
Affinity DataIC50: 0.220nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362362(CHEMBL1939759)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CC3)ccc12
Show InChI InChI=1S/C27H32N4O4S/c1-18-5-10-22(11-6-18)36(34,35)31-14-13-28-27(33)25(31)16-26(32)30-24-4-2-3-20-15-19(7-12-23(20)24)17-29-21-8-9-21/h5-7,10-15,21,24-25,29H,2-4,8-9,16-17H2,1H3,(H,28,33)(H,30,32)/t24-,25-/m1/s1
Affinity DataIC50: 0.230nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362329(CHEMBL1939939)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCN(CC1(C)C)C1CCCC1
Show InChI InChI=1S/C25H36N4O4S/c1-18-8-10-20(11-9-18)34(32,33)29-15-13-26-24(31)21(29)16-23(30)27-22-12-14-28(17-25(22,2)3)19-6-4-5-7-19/h8-11,13,15,19,21-22H,4-7,12,14,16-17H2,1-3H3,(H,26,31)(H,27,30)/t21-,22+/m1/s1
Affinity DataIC50: 0.247nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50157515(4'-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridi...)
Show SMILES COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N
Show InChI InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
Affinity DataIC50: 0.25nMAssay Description:Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309001(CHEMBL589820 | N-((5-(5-chloro-3-fluoro-2-(5-methy...)
Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C23H20ClF2N7O5/c1-4-33(30-22(34)18-8-19(36-3)31-38-18)23(35)28-10-17-15(25)5-12(9-27-17)14-6-13(24)7-16(26)20(14)21-29-11(2)37-32-21/h5-9H,4,10H2,1-3H3,(H,28,35)(H,30,34)
Affinity DataIC50: 0.260nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362365(CHEMBL1939756)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN)ccc12
Show InChI InChI=1S/C24H28N4O4S/c1-16-5-8-19(9-6-16)33(31,32)28-12-11-26-24(30)22(28)14-23(29)27-21-4-2-3-18-13-17(15-25)7-10-20(18)21/h5-13,21-22H,2-4,14-15,25H2,1H3,(H,26,30)(H,27,29)/t21-,22-/m1/s1
Affinity DataIC50: 0.280nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362328(CHEMBL1939941)
Show SMILES CC1(C)CNCC[C@@H]1NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-7-6-15(19)24-16(26)10-13-18(27)23-8-9-25(13)30(28,29)14-5-3-4-12(20)17(14)21/h3-5,8-9,13,15,22H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,26)/t13-,15+/m1/s1
Affinity DataIC50: 0.280nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362325(CHEMBL1939943)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cc(C)c(Cl)cc2C)C(C)(C)C1
Show InChI InChI=1S/C22H31ClN4O4S/c1-14-11-18(15(2)10-16(14)23)32(30,31)27-9-7-24-21(29)17(27)12-20(28)25-19-6-8-26(5)13-22(19,3)4/h7,9-11,17,19H,6,8,12-13H2,1-5H3,(H,24,29)(H,25,28)/t17-,19+/m1/s1
Affinity DataIC50: 0.280nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309008((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...)
Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C20H18ClF5N8O2/c1-4-34(31-18(35)20(24,25)26)19(36)28-9(2)16-14(23)5-10(8-27-16)12-6-11(21)7-13(22)15(12)17-29-32-33(3)30-17/h5-9H,4H2,1-3H3,(H,28,36)(H,31,35)/t9-/m1/s1
Affinity DataIC50: 0.280nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309015(CHEMBL597747 | N-(5-chloro-2-((5'-chloro-3,3'-difl...)
Show SMILES CC(=O)Nn1c(Cl)cnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C21H16Cl2F2N6O2/c1-10(32)29-31-18(23)9-27-21(31)26-8-13-4-3-12(5-16(13)24)15-6-14(22)7-17(25)19(15)20-28-11(2)33-30-20/h3-7,9H,8H2,1-2H3,(H,26,27)(H,29,32)
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344093(2-(3-oxo-1-tosylpiperazin-2-yl)-N-((R)-6-(piperidi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-21-8-11-24(12-9-21)38(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-23-18-22(10-13-25(23)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27?/m1/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50355057(CHEMBL1834751)
Show SMILES Cc1nn(-c2ccc(cn2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2c(F)ccc(F)c12
Show InChI InChI=1S/C31H31F2N5O2/c1-19-28-24(32)11-12-25(33)29(28)31(40)38(36-19)27-13-9-22(17-34-27)30(39)35-26-7-5-6-21-16-20(8-10-23(21)26)18-37-14-3-2-4-15-37/h8-13,16-17,26H,2-7,14-15,18H2,1H3,(H,35,39)/t26-/m1/s1
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity at human B1 receptor expressed in CHO cells by aequorin-based calcium flux assayMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362326(CHEMBL1939942)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCNCC1(C)C
Show InChI InChI=1S/C21H29ClN4O4S/c1-13-10-17(14(2)9-15(13)22)31(29,30)26-8-7-24-20(28)16(26)11-19(27)25-18-5-6-23-12-21(18,3)4/h7-10,16,18,23H,5-6,11-12H2,1-4H3,(H,24,28)(H,25,27)/t16-,18+/m1/s1
Affinity DataIC50: 0.310nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344098(2-(1-(3-bromo-5-chlorothiophen-2-ylsulfonyl)-3-oxo...)
Show SMILES Clc1cc(Br)c(s1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C26H32BrClN4O4S2/c27-20-14-23(28)37-26(20)38(35,36)32-12-9-29-25(34)22(32)15-24(33)30-21-6-4-5-18-13-17(7-8-19(18)21)16-31-10-2-1-3-11-31/h7-8,13-14,21-22H,1-6,9-12,15-16H2,(H,29,34)(H,30,33)/t21-,22?/m1/s1
Affinity DataIC50: 0.330nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344119(CHEMBL1777977 | N-((R)-6-((cyclopropylmethylamino)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC3CC3)ccc12
Show InChI InChI=1S/C28H36N4O4S/c1-19-5-10-23(11-6-19)37(35,36)32-14-13-30-28(34)26(32)16-27(33)31-25-4-2-3-22-15-21(9-12-24(22)25)18-29-17-20-7-8-20/h5-6,9-12,15,20,25-26,29H,2-4,7-8,13-14,16-18H2,1H3,(H,30,34)(H,31,33)/t25-,26-/m1/s1
Affinity DataIC50: 0.330nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50272454(CHEMBL525092 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H34N4O5S/c1-30(2,3)31-19-20-13-14-22-23(15-16-39-27(22)17-20)32-28(35)18-26-29(36)33-24-11-7-8-12-25(24)34(26)40(37,38)21-9-5-4-6-10-21/h4-14,17,23,26,31H,15-16,18-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,26-/m1/s1
Affinity DataIC50: 0.370nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cellsMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344110(2-((R)-3-oxo-1-tosylpiperazin-2-yl)-N-((R)-7-(pipe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C28H36N4O5S/c1-20-5-8-22(9-6-20)38(35,36)32-15-12-29-28(34)25(32)18-27(33)30-24-11-16-37-26-17-21(7-10-23(24)26)19-31-13-3-2-4-14-31/h5-10,17,24-25H,2-4,11-16,18-19H2,1H3,(H,29,34)(H,30,33)/t24-,25-/m1/s1
Affinity DataIC50: 0.400nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50203200((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
Affinity DataIC50: 0.400nMAssay Description:Antagonistic activity at African green monkey bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362361(CHEMBL1939760)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12
Show InChI InChI=1S/C29H38N4O4S/c1-20-8-11-23(12-9-20)38(36,37)33-15-14-31-28(35)26(33)17-27(34)32-25-7-5-6-22-16-21(10-13-24(22)25)18-30-19-29(2,3)4/h8-16,25-26,30H,5-7,17-19H2,1-4H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
Affinity DataIC50: 0.400nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362337(CHEMBL1939931)
Show SMILES CN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1
Show InChI InChI=1S/C21H30N4O4S/c1-15-5-7-16(8-6-15)30(28,29)25-12-10-22-20(27)17(25)13-19(26)23-18-9-11-24(4)14-21(18,2)3/h5-8,10,12,17-18H,9,11,13-14H2,1-4H3,(H,22,27)(H,23,26)/t17-,18+/m1/s1
Affinity DataIC50: 0.420nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309000(CHEMBL589819 | N-((5'-chloro-3,3'-difluoro-2'-(5-m...)
Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C24H21ClF2N6O5/c1-4-33(30-23(34)19-10-20(36-3)31-38-19)24(35)28-11-14-6-5-13(7-17(14)26)16-8-15(25)9-18(27)21(16)22-29-12(2)37-32-22/h5-10H,4,11H2,1-3H3,(H,28,35)(H,30,34)
Affinity DataIC50: 0.430nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344094(2-(1-(4-methoxyphenylsulfonyl)-3-oxopiperazin-2-yl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C29H38N4O5S/c1-38-23-9-11-24(12-10-23)39(36,37)33-17-14-30-29(35)27(33)19-28(34)31-26-7-5-6-22-18-21(8-13-25(22)26)20-32-15-3-2-4-16-32/h8-13,18,26-27H,2-7,14-17,19-20H2,1H3,(H,30,35)(H,31,34)/t26-,27?/m1/s1
Affinity DataIC50: 0.430nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362338(CHEMBL1939929)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C=CNC(=O)[C@H]1CC(=O)N[C@H]1CCNCC1(C)C
Show InChI InChI=1S/C20H28N4O4S/c1-14-4-6-15(7-5-14)29(27,28)24-11-10-22-19(26)16(24)12-18(25)23-17-8-9-21-13-20(17,2)3/h4-7,10-11,16-17,21H,8-9,12-13H2,1-3H3,(H,22,26)(H,23,25)/t16-,17+/m1/s1
Affinity DataIC50: 0.430nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50210361(CHEMBL234097 | N-(2-((4-cyano-4-(2-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccccc1C1(CCC(CNc2ncccc2NC(=O)c2ccno2)CC1)C#N
Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-5-2-1-4-17(18)23(15-28)10-7-16(8-11-23)14-30-21-19(6-3-12-29-21)32-22(33)20-9-13-31-34-20/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,29,30)(H,32,33)
Affinity DataIC50: 0.450nMAssay Description:Antagonist activity in human bradykinin B1 receptor by FLIPR methodMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344120(CHEMBL1777978 | N-((R)-6-((isobutylamino)methyl)-1...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(CCNC1=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H38N4O4S/c1-19(2)17-29-18-21-9-12-24-22(15-21)5-4-6-25(24)31-27(33)16-26-28(34)30-13-14-32(26)37(35,36)23-10-7-20(3)8-11-23/h7-12,15,19,25-26,29H,4-6,13-14,16-18H2,1-3H3,(H,30,34)(H,31,33)/t25-,26-/m1/s1
Affinity DataIC50: 0.480nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50272452(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C31H32Cl2N4O5S/c32-23-11-9-21(17-24(23)33)43(40,41)37-27-7-3-2-6-26(27)35-31(39)28(37)18-30(38)34-25-12-15-42-29-16-20(8-10-22(25)29)19-36-13-4-1-5-14-36/h2-3,6-11,16-17,25,28H,1,4-5,12-15,18-19H2,(H,34,38)(H,35,39)/t25-,28-/m1/s1
Affinity DataIC50: 0.480nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cellsMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344089(2-(3-oxo-1-(phenylsulfonyl)piperazin-2-yl)-N-((R)-...)
Show SMILES O=C(CC1N(CCNC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26?/m1/s1
Affinity DataIC50: 0.480nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309006((R)-N-(1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-o...)
Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C21H18ClF5N6O3/c1-4-33(31-19(34)21(25,26)27)20(35)29-9(2)17-15(24)5-11(8-28-17)13-6-12(22)7-14(23)16(13)18-30-10(3)36-32-18/h5-9H,4H2,1-3H3,(H,29,35)(H,31,34)/t9-/m1/s1
Affinity DataIC50: 0.480nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50344091(2-(1-(4-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C28H35ClN4O4S/c29-22-8-10-23(11-9-22)38(36,37)33-16-13-30-28(35)26(33)18-27(34)31-25-6-4-5-21-17-20(7-12-24(21)25)19-32-14-2-1-3-15-32/h7-12,17,25-26H,1-6,13-16,18-19H2,(H,30,35)(H,31,34)/t25-,26?/m1/s1
Affinity DataIC50: 0.490nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50309622(3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C(CF)CF)c(F)c1
Show InChI InChI=1S/C18H16ClF4N7O2/c1-29-27-17(26-28-29)16-12(3-10(19)4-14(16)23)9-2-13(22)15(24-7-9)8-25-18(31)30(32)11(5-20)6-21/h2-4,7,11,32H,5-6,8H2,1H3,(H,25,31)
Affinity DataIC50: 0.5nMAssay Description:Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilizationMore data for this Ligand-Target Pair
TargetB1 bradykinin receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50362335(CHEMBL1939933)
Show SMILES CCCN1CC[C@H](NC(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2ccc(C)cc2)C(C)(C)C1
Show InChI InChI=1S/C23H34N4O4S/c1-5-12-26-13-10-20(23(3,4)16-26)25-21(28)15-19-22(29)24-11-14-27(19)32(30,31)18-8-6-17(2)7-9-18/h6-9,11,14,19-20H,5,10,12-13,15-16H2,1-4H3,(H,24,29)(H,25,28)/t19-,20+/m1/s1
Affinity DataIC50: 0.510nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...More data for this Ligand-Target Pair
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