Compile Data Set for Download or QSAR
Found 507 of ic50 for UniProtKB: Q9Y271
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227045(CHEMBL354129)
Show SMILES CCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C24H23N5O4/c1-2-3-4-5-6-14-32-17-12-10-16(11-13-17)24(31)25-19-9-7-8-18-20(30)15-21(33-22(18)19)23-26-28-29-27-23/h5-13,15H,2-4,14H2,1H3,(H,25,31)(H,26,27,28,29)/b6-5+
Affinity DataIC50: 0.0310nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50023198(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
Affinity DataIC50: 0.0440nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227075(CHEMBL171021)
Show SMILES CCCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H25N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h6-14,16H,2-5,15H2,1H3,(H,26,32)(H,27,28,29,30)/b7-6+
Affinity DataIC50: 0.0600nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227072(CHEMBL169790)
Show SMILES C=CCCCCCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H25N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h2,8-14,16H,1,3-7,15H2,(H,26,32)(H,27,28,29,30)
Affinity DataIC50: 0.110nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227054(CHEMBL354530)
Show SMILES CCCCCC#CCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H23N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h8-14,16H,2-5,15H2,1H3,(H,26,32)(H,27,28,29,30)
Affinity DataIC50: 0.140nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227053(CHEMBL170191)
Show SMILES C=CCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C25H23N5O4/c1-2-3-4-5-6-7-15-33-18-13-11-17(12-14-18)25(32)26-20-10-8-9-19-21(31)16-22(34-23(19)20)24-27-29-30-28-24/h2,6-14,16H,1,3-5,15H2,(H,26,32)(H,27,28,29,30)/b7-6+
Affinity DataIC50: 0.160nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069352((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)19-18-28-13-16-30(38-32(28)23-35)15-12-26-8-7-10-29(22-26)33(42-25-37(20-21-37)24-34(39)40)17-14-27-9-5-6-11-31(27)36(3,4)41/h5-13,15-16,22,33,41H,14,17-21,23-25H2,1-4H3,(H,39,40)/b15-12+/t33-/m1/s1
Affinity DataIC50: 0.170nMAssay Description:In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069352((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)19-18-28-13-16-30(38-32(28)23-35)15-12-26-8-7-10-29(22-26)33(42-25-37(20-21-37)24-34(39)40)17-14-27-9-5-6-11-31(27)36(3,4)41/h5-13,15-16,22,33,41H,14,17-21,23-25H2,1-4H3,(H,39,40)/b15-12+/t33-/m1/s1
Affinity DataIC50: 0.190nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069356((R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCc3n2)c1
Show InChI InChI=1S/C35H41NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3,5,7-9,11-12,14-15,17-18,22,32,39H,4,6,10,13,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m1/s1
Affinity DataIC50: 0.190nMAssay Description:Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069356((R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCc3n2)c1
Show InChI InChI=1S/C35H41NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3,5,7-9,11-12,14-15,17-18,22,32,39H,4,6,10,13,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m1/s1
Affinity DataIC50: 0.190nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50068974(2,2-Diethyl-N-[3-(7-fluoro-quinolin-2-ylmethoxy)-p...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25FN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-18-6-5-7-20(13-18)31-15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
Affinity DataIC50: 0.200nMAssay Description:In vitro for antagonistic activity against LTD4 receptor in guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069375((R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CSCc3n2)c1
Show InChI InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1
Affinity DataIC50: 0.210nMAssay Description:Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069375((R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CSCc3n2)c1
Show InChI InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1
Affinity DataIC50: 0.210nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50104905(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
Affinity DataIC50: 0.220nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069356((R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCc3n2)c1
Show InChI InChI=1S/C35H41NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3,5,7-9,11-12,14-15,17-18,22,32,39H,4,6,10,13,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m1/s1
Affinity DataIC50: 0.25nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50215369(CHEMBL368290)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3c(F)cccc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25FN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-16-7-5-8-18(13-16)31-15-17-11-12-19-20(25)9-6-10-21(19)26-17/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
Affinity DataIC50: 0.300nMAssay Description:In vitro for antagonistic activity against LTD4 receptor in guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50104904(CHEMBL3597617)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32ClNO5/c1-22-25(8-6-11-30(22)34)7-3-4-20-40-27-16-13-24(14-17-27)12-15-26-9-5-10-29-28(18-19-31(36)37)23(2)35(33(26)29)21-32(38)39/h5-6,8-11,13-14,16-17H,3-4,7,18-21H2,1-2H3,(H,36,37)(H,38,39)
Affinity DataIC50: 0.320nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069372((1-{(R)-1-{3-[(E)-2-(6,6-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)21-28-13-16-29(37-31(28)22-34)15-12-25-8-7-10-27(20-25)32(41-24-36(18-19-36)23-33(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,20,32,40H,14,17-19,21-24H2,1-4H3,(H,38,39)/b15-12+/t32-/m1/s1
Affinity DataIC50: 0.340nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069372((1-{(R)-1-{3-[(E)-2-(6,6-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)21-28-13-16-29(37-31(28)22-34)15-12-25-8-7-10-27(20-25)32(41-24-36(18-19-36)23-33(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,20,32,40H,14,17-19,21-24H2,1-4H3,(H,38,39)/b15-12+/t32-/m1/s1
Affinity DataIC50: 0.340nMAssay Description:Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069350((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)c3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)19-18-27-13-16-29(37-33(27)34)15-12-25-8-7-10-28(22-25)31(41-24-36(20-21-36)23-32(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,22,31,40H,14,17-21,23-24H2,1-4H3,(H,38,39)/b15-12+/t31-/m1/s1
Affinity DataIC50: 0.350nMAssay Description:In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227047(CHEMBL172889)
Show SMILES O=C(Nc1cccc2OCC(Oc12)c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O4/c32-26(19-12-14-20(15-13-19)33-16-5-4-9-18-7-2-1-3-8-18)27-21-10-6-11-22-24(21)35-23(17-34-22)25-28-30-31-29-25/h1-3,6-8,10-15,23H,4-5,9,16-17H2,(H,27,32)(H,28,29,30,31)
Affinity DataIC50: 0.370nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50285678((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES CC(C)(O)c1ccc(CC[C@@H](SCC2(CC(O)=O)CC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)cc1
Show InChI InChI=1S/C33H33Cl2NO3S2/c1-32(2,39)24-10-6-21(7-11-24)9-14-26(40-20-33(16-17-33)19-28(37)38)23-5-3-4-22(18-23)8-12-25-13-15-27-30(36-25)29(34)31(35)41-27/h3-8,10-13,15,18,26,39H,9,14,16-17,19-20H2,1-2H3,(H,37,38)/b12-8+/t26-/m1/s1
Affinity DataIC50: 0.380nMAssay Description:Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50215411(CHEMBL425675)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(\C=C\c2ccc3ccc(F)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C25H25FN2O3/c1-3-25(4-2,24(30)31)16-23(29)28-21-7-5-6-17(14-21)8-12-20-13-10-18-9-11-19(26)15-22(18)27-20/h5-15H,3-4,16H2,1-2H3,(H,28,29)(H,30,31)/b12-8+
Affinity DataIC50: 0.400nMAssay Description:In vitro for antagonistic activity against LTD4 receptor in guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069352((1-{(R)-1-{3-[(E)-2-(7,7-Dimethyl-5,6,7,8-tetrahyd...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C37H45NO3S/c1-35(2)19-18-28-13-16-30(38-32(28)23-35)15-12-26-8-7-10-29(22-26)33(42-25-37(20-21-37)24-34(39)40)17-14-27-9-5-6-11-31(27)36(3,4)41/h5-13,15-16,22,33,41H,14,17-21,23-25H2,1-4H3,(H,39,40)/b15-12+/t33-/m1/s1
Affinity DataIC50: 0.420nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069372((1-{(R)-1-{3-[(E)-2-(6,6-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)21-28-13-16-29(37-31(28)22-34)15-12-25-8-7-10-27(20-25)32(41-24-36(18-19-36)23-33(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,20,32,40H,14,17-19,21-24H2,1-4H3,(H,38,39)/b15-12+/t32-/m1/s1
Affinity DataIC50: 0.430nMAssay Description:In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
Affinity DataIC50: 0.430nMAssay Description:In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069355((1-{(R)-1-{3-[(E)-2-(6,7-Dihydro-5H-[1]pyrindin-2-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCc3n2)c1
Show InChI InChI=1S/C34H39NO3S/c1-33(2,38)29-11-4-3-8-25(29)15-18-31(39-23-34(19-20-34)22-32(36)37)27-10-5-7-24(21-27)13-16-28-17-14-26-9-6-12-30(26)35-28/h3-5,7-8,10-11,13-14,16-17,21,31,38H,6,9,12,15,18-20,22-23H2,1-2H3,(H,36,37)/b16-13+/t31-/m1/s1
Affinity DataIC50: 0.440nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50285677((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES OC(=O)CC1(CS[C@H](CCc2cccc(c2)C2(O)CCC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
Show InChI InChI=1S/C34H33Cl2NO3S2/c35-30-31-28(42-32(30)36)13-11-26(37-31)10-8-22-4-1-6-24(18-22)27(41-21-33(16-17-33)20-29(38)39)12-9-23-5-2-7-25(19-23)34(40)14-3-15-34/h1-2,4-8,10-11,13,18-19,27,40H,3,9,12,14-17,20-21H2,(H,38,39)/b10-8+/t27-/m1/s1
Affinity DataIC50: 0.470nMAssay Description:Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227136(CHEMBL170100)
Show SMILES CCCC\C=C\COc1ccc(cc1)C(=O)Nc1cccc2OCC(Oc12)c1nnn[nH]1
Show InChI InChI=1S/C23H25N5O4/c1-2-3-4-5-6-14-30-17-12-10-16(11-13-17)23(29)24-18-8-7-9-19-21(18)32-20(15-31-19)22-25-27-28-26-22/h5-13,20H,2-4,14-15H2,1H3,(H,24,29)(H,25,26,27,28)/b6-5+
Affinity DataIC50: 0.470nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50104883(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
Affinity DataIC50: 0.470nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069373(2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...)
Show SMILES CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
Affinity DataIC50: 0.470nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50227144(CHEMBL83797)
Show SMILES CCCCCCCOc1ccc(cc1)C(=O)Nc1cccc2c1oc(cc2=O)-c1nn[nH]n1
Show InChI InChI=1S/C24H25N5O4/c1-2-3-4-5-6-14-32-17-12-10-16(11-13-17)24(31)25-19-9-7-8-18-20(30)15-21(33-22(18)19)23-26-28-29-27-23/h7-13,15H,2-6,14H2,1H3,(H,25,31)(H,26,27,28,29)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069355((1-{(R)-1-{3-[(E)-2-(6,7-Dihydro-5H-[1]pyrindin-2-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCc3n2)c1
Show InChI InChI=1S/C34H39NO3S/c1-33(2,38)29-11-4-3-8-25(29)15-18-31(39-23-34(19-20-34)22-32(36)37)27-10-5-7-24(21-27)13-16-28-17-14-26-9-6-12-30(26)35-28/h3-5,7-8,10-11,13-14,16-17,21,31,38H,6,9,12,15,18-20,22-23H2,1-2H3,(H,36,37)/b16-13+/t31-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50215410(CHEMBL369421)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3cc(F)c(F)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H24F2N2O4/c1-3-24(4-2,23(30)31)13-22(29)28-16-6-5-7-18(11-16)32-14-17-9-8-15-10-19(25)20(26)12-21(15)27-17/h5-12H,3-4,13-14H2,1-2H3,(H,28,29)(H,30,31)
Affinity DataIC50: 0.5nMAssay Description:In vitro for antagonistic activity against LTD4 receptor in guinea pig ileumMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069355((1-{(R)-1-{3-[(E)-2-(6,7-Dihydro-5H-[1]pyrindin-2-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCc3n2)c1
Show InChI InChI=1S/C34H39NO3S/c1-33(2,38)29-11-4-3-8-25(29)15-18-31(39-23-34(19-20-34)22-32(36)37)27-10-5-7-24(21-27)13-16-28-17-14-26-9-6-12-30(26)35-28/h3-5,7-8,10-11,13-14,16-17,21,31,38H,6,9,12,15,18-20,22-23H2,1-2H3,(H,36,37)/b16-13+/t31-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Compound were tested for inhibitory activity against Cysteinyl leukotriene D4 receptorMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069364((1-{(R)-1-{3-[(E)-2-(6-Butyl-5-methyl-pyridin-2-yl...)
Show SMILES CCCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C36H45NO3S/c1-5-6-14-32-26(2)15-18-30(37-32)19-16-27-10-9-12-29(23-27)33(41-25-36(21-22-36)24-34(38)39)20-17-28-11-7-8-13-31(28)35(3,4)40/h7-13,15-16,18-19,23,33,40H,5-6,14,17,20-22,24-25H2,1-4H3,(H,38,39)/b19-16+/t33-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50216211(CHEMBL143597)
Show SMILES CCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C35H43NO3S/c1-5-9-31-25(2)14-17-29(36-31)18-15-26-10-8-12-28(22-26)32(40-24-35(20-21-35)23-33(37)38)19-16-27-11-6-7-13-30(27)34(3,4)39/h6-8,10-15,17-18,22,32,39H,5,9,16,19-21,23-24H2,1-4H3,(H,37,38)/b18-15+/t32-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069373(2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...)
Show SMILES CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
Affinity DataIC50: 0.510nMAssay Description:Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069373(2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...)
Show SMILES CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
Affinity DataIC50: 0.510nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50285683((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3sc(Cl)c(Cl)c3n2)c1
Show InChI InChI=1S/C33H33Cl2NO3S2/c1-32(2,39)25-9-4-3-7-22(25)11-14-26(40-20-33(16-17-33)19-28(37)38)23-8-5-6-21(18-23)10-12-24-13-15-27-30(36-24)29(34)31(35)41-27/h3-10,12-13,15,18,26,39H,11,14,16-17,19-20H2,1-2H3,(H,37,38)/b12-10+/t26-/m1/s1
Affinity DataIC50: 0.550nMAssay Description:Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069372((1-{(R)-1-{3-[(E)-2-(6,6-Dimethyl-6,7-dihydro-5H-[...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CC(C)(C)Cc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-34(2)21-28-13-16-29(37-31(28)22-34)15-12-25-8-7-10-27(20-25)32(41-24-36(18-19-36)23-33(38)39)17-14-26-9-5-6-11-30(26)35(3,4)40/h5-13,15-16,20,32,40H,14,17-19,21-24H2,1-4H3,(H,38,39)/b15-12+/t32-/m1/s1
Affinity DataIC50: 0.560nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50104872(CHEMBL3597535)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
Affinity DataIC50: 0.560nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069357(CHEMBL141640 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-et...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CCCCCc3n2)c1
Show InChI InChI=1S/C36H43NO3S/c1-35(2,40)31-13-7-6-10-27(31)17-20-33(41-25-36(21-22-36)24-34(38)39)29-12-8-9-26(23-29)15-18-30-19-16-28-11-4-3-5-14-32(28)37-30/h6-10,12-13,15-16,18-19,23,33,40H,3-5,11,14,17,20-22,24-25H2,1-2H3,(H,38,39)/b18-15+/t33-/m1/s1
Affinity DataIC50: 0.580nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50066947(CHEMBL3403186)
Show SMILES OC(=O)CCCN1CC(Oc2c(\C=C\c3ccc(OCCCCc4ccccc4)cc3)cccc12)c1nnn[nH]1
Show InChI InChI=1S/C31H33N5O4/c37-29(38)13-7-20-36-22-28(31-32-34-35-33-31)40-30-25(11-6-12-27(30)36)17-14-24-15-18-26(19-16-24)39-21-5-4-10-23-8-2-1-3-9-23/h1-3,6,8-9,11-12,14-19,28H,4-5,7,10,13,20-22H2,(H,37,38)(H,32,33,34,35)/b17-14+
Affinity DataIC50: 0.590nMAssay Description:Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated ...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50069375((R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3CSCc3n2)c1
Show InChI InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1
Affinity DataIC50: 0.610nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50104864(CHEMBL3597527)
Show SMILES Cc1c(Cl)cccc1CCCCOc1ccc(\C=C\c2cccc3c(CCCC(O)=O)cn(CC(O)=O)c23)cc1
Show InChI InChI=1S/C33H34ClNO5/c1-23-25(8-5-12-30(23)34)7-2-3-20-40-28-18-15-24(16-19-28)14-17-26-9-4-11-29-27(10-6-13-31(36)37)21-35(33(26)29)22-32(38)39/h4-5,8-9,11-12,14-19,21H,2-3,6-7,10,13,20,22H2,1H3,(H,36,37)(H,38,39)/b17-14+
Affinity DataIC50: 0.620nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50069373(2-(1-(((1R)-3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(...)
Show SMILES CC1CCCc2ccc(\C=C\c3cccc(c3)[C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(O)=O)CC3)nc12
Show InChI InChI=1S/C36H43NO3S/c1-25-8-6-11-28-15-18-30(37-34(25)28)17-14-26-9-7-12-29(22-26)32(41-24-36(20-21-36)23-33(38)39)19-16-27-10-4-5-13-31(27)35(2,3)40/h4-5,7,9-10,12-15,17-18,22,25,32,40H,6,8,11,16,19-21,23-24H2,1-3H3,(H,38,39)/b17-14+/t25?,32-/m1/s1
Affinity DataIC50: 0.630nMAssay Description:In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
Affinity DataIC50: 0.640nMAssay Description:In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50285675((1-{(R)-1-{3-[(E)-2-(2,3-Dichloro-thieno[3,2-b]pyr...)
Show SMILES OC(=O)CC1(CS[C@H](CCc2ccc(cc2)C2(O)CCC2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
Show InChI InChI=1S/C34H33Cl2NO3S2/c35-30-31-28(42-32(30)36)14-12-26(37-31)11-7-23-3-1-4-24(19-23)27(41-21-33(17-18-33)20-29(38)39)13-8-22-5-9-25(10-6-22)34(40)15-2-16-34/h1,3-7,9-12,14,19,27,40H,2,8,13,15-18,20-21H2,(H,38,39)/b11-7+/t27-/m1/s1
Affinity DataIC50: 0.650nMAssay Description:Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranesMore data for this Ligand-Target Pair
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