Compile Data Set for Download or QSAR
Found 125 of ki for UniProtKB: Q9Y271
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227363(CHEMBL299837)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)NC3CCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C28H28ClN5O5S/c1-34-24-13-12-20(31-28(36)30-19-6-5-7-19)16-21(24)23(32-34)14-17-10-11-18(15-25(17)39-2)27(35)33-40(37,38)26-9-4-3-8-22(26)29/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3,(H,33,35)(H2,30,31,36)
Affinity DataKi:  0.100nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50009075(CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)
Affinity DataKi:  0.200nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227366(CHEMBL48927)
Show SMILES COCCn1cc(Cc2ccc(cc2OC)C(=O)NS(=O)(=O)c2ccccc2)c2cc(NC(=O)OC3CCCC3)ccc12
Show InChI InChI=1S/C32H35N3O7S/c1-40-17-16-35-21-24(28-20-25(14-15-29(28)35)33-32(37)42-26-8-6-7-9-26)18-22-12-13-23(19-30(22)41-2)31(36)34-43(38,39)27-10-4-3-5-11-27/h3-5,10-15,19-21,26H,6-9,16-18H2,1-2H3,(H,33,37)(H,34,36)
Affinity DataKi:  0.200nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227364(CHEMBL299093)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H33ClN4O5S/c1-36-27-15-14-23(33-30(37)16-20-8-4-3-5-9-20)19-24(27)26(34-36)17-21-12-13-22(18-28(21)41-2)31(38)35-42(39,40)29-11-7-6-10-25(29)32/h6-7,10-15,18-20H,3-5,8-9,16-17H2,1-2H3,(H,33,37)(H,35,38)
Affinity DataKi:  0.25nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227361(CHEMBL51585)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H30N4O6S/c1-33-26-15-14-21(30-29(35)39-22-8-6-7-9-22)18-24(26)25(31-33)16-19-12-13-20(17-27(19)38-2)28(34)32-40(36,37)23-10-4-3-5-11-23/h3-5,10-15,17-18,22H,6-9,16H2,1-2H3,(H,30,35)(H,32,34)
Affinity DataKi:  0.25nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
Affinity DataKi:  0.260nMMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227642(CHEMBL50562)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H34N4O5S/c1-20-8-4-7-11-29(20)41(38,39)34-31(37)23-13-12-22(28(18-23)40-3)17-26-25-19-24(14-15-27(25)35(2)33-26)32-30(36)16-21-9-5-6-10-21/h4,7-8,11-15,18-19,21H,5-6,9-10,16-17H2,1-3H3,(H,32,36)(H,34,37)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227365(CHEMBL300096)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H31ClN4O5S/c1-35-26-14-13-22(32-29(36)15-19-7-3-4-8-19)18-23(26)25(33-35)16-20-11-12-21(17-27(20)40-2)30(37)34-41(38,39)28-10-6-5-9-24(28)31/h5-6,9-14,17-19H,3-4,7-8,15-16H2,1-2H3,(H,32,36)(H,34,37)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227358(CHEMBL412056)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C30H32N4O6S/c1-19-8-4-7-11-28(19)41(37,38)33-29(35)21-13-12-20(27(17-21)39-3)16-25-24-18-22(14-15-26(24)34(2)32-25)31-30(36)40-23-9-5-6-10-23/h4,7-8,11-15,17-18,23H,5-6,9-10,16H2,1-3H3,(H,31,36)(H,33,35)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227640(CHEMBL297952)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C31H32ClN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227355(CHEMBL296821)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C29H29BrN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227356(CHEMBL49944)
Show SMILES COc1cc(ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O6S/c1-34-25-14-13-20(31-29(36)40-21-7-3-4-8-21)17-22(25)24(32-34)15-18-11-12-19(16-26(18)39-2)28(35)33-41(37,38)27-10-6-5-9-23(27)30/h5-6,9-14,16-17,21H,3-4,7-8,15H2,1-2H3,(H,31,36)(H,33,35)
Affinity DataKi:  0.300nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227390(CHEMBL301616)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C31H32BrN3O5S/c1-35-19-23(25-18-24(13-14-27(25)35)33-30(36)15-20-7-3-4-8-20)16-21-11-12-22(17-28(21)40-2)31(37)34-41(38,39)29-10-6-5-9-26(29)32/h5-6,9-14,17-20H,3-4,7-8,15-16H2,1-2H3,(H,33,36)(H,34,37)
Affinity DataKi:  0.5nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50292408((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]LTD4 from LTD4 receptorMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50070919(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
Affinity DataKi:  0.700nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227389(CHEMBL51580)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H31ClN4O5S/c1-35-18-21(24-17-23(13-14-26(24)35)33-30(37)32-22-7-3-4-8-22)15-19-11-12-20(16-27(19)40-2)29(36)34-41(38,39)28-10-6-5-9-25(28)31/h5-6,9-14,16-18,22H,3-4,7-8,15H2,1-2H3,(H,34,36)(H2,32,33,37)
Affinity DataKi:  0.700nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

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 DataKi:  0.800nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227367(CHEMBL48435)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H31N3O6S/c1-33-19-22(26-18-23(14-15-27(26)33)31-30(35)39-24-8-6-7-9-24)16-20-12-13-21(17-28(20)38-2)29(34)32-40(36,37)25-10-4-3-5-11-25/h3-5,10-15,17-19,24H,6-9,16H2,1-2H3,(H,31,35)(H,32,34)
Affinity DataKi:  0.800nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227638(CHEMBL49566)
Show SMILES COc1cc(ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H29N3O6S/c1-37-27-16-20(28(33)32-39(35,36)24-9-3-2-4-10-24)12-11-19(27)15-21-18-30-26-14-13-22(17-25(21)26)31-29(34)38-23-7-5-6-8-23/h2-4,9-14,16-18,23,30H,5-8,15H2,1H3,(H,31,34)(H,32,33)
Affinity DataKi:  1.40nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50009073(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
Affinity DataKi:  2nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50070919(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
Affinity DataKi:  2nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM85673(CAS_5311297 | Montelukast | NSC_5311297)
Show SMILES CC(C)(O)c1ccccc1CCC(S)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C29H28ClNOS/c1-29(2,32)26-9-4-3-7-21(26)13-17-28(33)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50215874(CHEMBL52102)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(c1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C33H29FN2O6S2/c1-19-6-3-4-9-30(19)44(39,40)36-33(38)22-8-5-7-21(14-22)15-25-20(2)42-28-12-11-24(17-26(28)32(25)37)41-18-31-35-27-16-23(34)10-13-29(27)43-31/h3-14,16-17,20,25,32,37H,15,18H2,1-2H3,(H,36,38)/t20-,25-,32-/m1/s1
Affinity DataKi:  3nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227354(CHEMBL51289)
Show SMILES COc1cc(ccc1Cc1cn(Cc2cccc(c2)C#N)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C33H34N4O5S/c1-42-31-17-26(33(39)36-43(2,40)41)11-10-25(31)16-27-21-37(20-24-9-5-8-23(14-24)19-34)30-13-12-28(18-29(27)30)35-32(38)15-22-6-3-4-7-22/h5,8-14,17-18,21-22H,3-4,6-7,15-16,20H2,1-2H3,(H,35,38)(H,36,39)
Affinity DataKi:  5.60nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227353(CHEMBL51239)
Show SMILES COc1cc(ccc1Cc1cn(Cc2cccc(c2)C#N)c2ccc(NC(=O)CC3CCCC3)cc12)C(=O)NS(=O)(=O)C(C)C
Show InChI InChI=1S/C35H38N4O5S/c1-23(2)45(42,43)38-35(41)28-12-11-27(33(18-28)44-3)17-29-22-39(21-26-10-6-9-25(15-26)20-36)32-14-13-30(19-31(29)32)37-34(40)16-24-7-4-5-8-24/h6,9-15,18-19,22-24H,4-5,7-8,16-17,21H2,1-3H3,(H,37,40)(H,38,41)
Affinity DataKi:  6.80nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228527(CHEMBL93991)
Show SMILES C(Cc1nnn[nH]1)C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C27H25N5O/c1-2-6-21(7-3-1)23(13-17-27-29-31-32-30-27)18-20-10-15-25(16-11-20)33-19-24-14-12-22-8-4-5-9-26(22)28-24/h1-12,14-16,23H,13,17-19H2,(H,29,30,31,32)
Affinity DataKi:  8nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50009070((2S,3R)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2...)
Show SMILES O[C@H]([C@H](SCCC(O)=O)c1ccccc1CCCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1
Affinity DataKi:  10nMAssay Description:Binding affinity against Cysteinyl leukotriene D4 receptor in guinea pig lung membranes using [3H]-LTD4 as the radioligand.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50227359(CHEMBL51061)
Show SMILES COc1cc(ccc1Cc1cn(Cc2cccc(c2)C#N)c2ccc(NC(=O)CC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C32H31N3O4/c1-39-30-16-25(32(37)38)10-9-24(30)15-26-20-35(19-23-8-4-7-22(13-23)18-33)29-12-11-27(17-28(26)29)34-31(36)14-21-5-2-3-6-21/h4,7-13,16-17,20-21H,2-3,5-6,14-15,19H2,1H3,(H,34,36)(H,37,38)
Affinity DataKi:  10nMAssay Description:Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50001285((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
Affinity DataKi:  10.4nMMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228524(CHEMBL317945)
Show SMILES CCCC(CCc1nnn[nH]1)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H27N5O/c1-2-6-18(11-14-24-26-28-29-27-24)15-19-7-5-9-22(16-19)30-17-21-13-12-20-8-3-4-10-23(20)25-21/h3-5,7-10,12-13,16,18H,2,6,11,14-15,17H2,1H3,(H,26,27,28,29)
Affinity DataKi:  11nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
University of California Irvine

Curated by PDSP Ki Database
LigandPNGBDBM50013901(2-(4-{2-[2-(1H-Tetrazol-5-yl)-ethyl]-pentyl}-pheno...)
Show SMILES CCCC(CCc1nnn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C24H27N5O/c1-2-5-18(10-15-24-26-28-29-27-24)16-19-8-13-22(14-9-19)30-17-21-12-11-20-6-3-4-7-23(20)25-21/h3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27,28,29)
Affinity DataKi:  11nMAssay Description:In vitro binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228506(CHEMBL97656)
Show SMILES CC(CCc1nnn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C22H23N5O/c1-16(6-13-22-24-26-27-25-22)14-17-7-11-20(12-8-17)28-15-19-10-9-18-4-2-3-5-21(18)23-19/h2-5,7-12,16H,6,13-15H2,1H3,(H,24,25,26,27)
Affinity DataKi:  12nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50070921(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
Affinity DataKi:  14nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228530(CHEMBL97400)
Show SMILES C(Cc1nnn[nH]1)C(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1
Show InChI InChI=1S/C27H25N5O/c1-2-8-21(9-3-1)23(14-16-27-29-31-32-30-27)17-20-7-6-11-25(18-20)33-19-24-15-13-22-10-4-5-12-26(22)28-24/h1-13,15,18,23H,14,16-17,19H2,(H,29,30,31,32)
Affinity DataKi:  14nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228517(CHEMBL328815)
Show SMILES C(Oc1ccc(CC2CCCC2Cc2nnn[nH]2)cc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H25N5O/c1-2-7-23-18(4-1)10-11-21(25-23)16-30-22-12-8-17(9-13-22)14-19-5-3-6-20(19)15-24-26-28-29-27-24/h1-2,4,7-13,19-20H,3,5-6,14-16H2,(H,26,27,28,29)
Affinity DataKi:  15nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228525(CHEMBL98232)
Show SMILES CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nnn[nH]1
Show InChI InChI=1S/C22H23N5O/c1-16(13-22-24-26-27-25-22)9-10-17-5-4-7-20(14-17)28-15-19-12-11-18-6-2-3-8-21(18)23-19/h2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,24,25,26,27)
Affinity DataKi:  17nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50013536(2-{4-[4-(1H-Tetrazol-5-yl)-butyl]-phenoxymethyl}-q...)
Show SMILES C(CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nnn[nH]1
Show InChI InChI=1S/C21H21N5O/c1(4-8-21-23-25-26-24-21)5-16-9-13-19(14-10-16)27-15-18-12-11-17-6-2-3-7-20(17)22-18/h2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24,25,26)
Affinity DataKi:  18nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50215871(CHEMBL415954)
Show SMILES C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m0/s1
Affinity DataKi:  19nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228512(CHEMBL264799)
Show SMILES C(CCc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nnn[nH]1
Show InChI InChI=1S/C21H21N5O/c1(4-11-21-23-25-26-24-21)6-16-7-5-9-19(14-16)27-15-18-13-12-17-8-2-3-10-20(17)22-18/h2-3,5,7-10,12-14H,1,4,6,11,15H2,(H,23,24,25,26)
Affinity DataKi:  20nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228519(CHEMBL97713)
Show SMILES CCCC(CCC(O)=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C24H27NO3/c1-2-5-18(10-15-24(26)27)16-19-8-13-22(14-9-19)28-17-21-12-11-20-6-3-4-7-23(20)25-21/h3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27)
Affinity DataKi:  21nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228511(CHEMBL421750)
Show SMILES OC(=O)CC1CCC(C1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C23H23NO3/c25-23(26)14-16-5-6-19(13-16)17-8-11-21(12-9-17)27-15-20-10-7-18-3-1-2-4-22(18)24-20/h1-4,7-12,16,19H,5-6,13-15H2,(H,25,26)
Affinity DataKi:  22nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228523(CHEMBL97693)
Show SMILES CC(CC(C)C(O)=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H25NO3/c1-16(12-17(2)23(25)26)13-18-6-5-8-21(14-18)27-15-20-11-10-19-7-3-4-9-22(19)24-20/h3-11,14,16-17H,12-13,15H2,1-2H3,(H,25,26)
Affinity DataKi:  24nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228529(CHEMBL420082)
Show SMILES C(CC1(Cc2nnn[nH]2)CCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C25H27N5O/c1-2-6-23-20(5-1)9-10-21(26-23)18-31-22-11-7-19(8-12-22)13-16-25(14-3-4-15-25)17-24-27-29-30-28-24/h1-2,5-12H,3-4,13-18H2,(H,27,28,29,30)
Affinity DataKi:  25nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228526(CHEMBL96592)
Show SMILES CC(CCc1ccc(OCc2ccc3ccccc3n2)cc1)Cc1nnn[nH]1
Show InChI InChI=1S/C22H23N5O/c1-16(14-22-24-26-27-25-22)6-7-17-8-12-20(13-9-17)28-15-19-11-10-18-4-2-3-5-21(18)23-19/h2-5,8-13,16H,6-7,14-15H2,1H3,(H,24,25,26,27)
Affinity DataKi:  25nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50215875(CHEMBL299779)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H22FNO5S/c1-14-19(10-15-3-2-4-16(9-15)26(30)31)25(29)20-12-18(6-7-22(20)33-14)32-13-24-28-21-11-17(27)5-8-23(21)34-24/h2-9,11-12,14,19,25,29H,10,13H2,1H3,(H,30,31)/t14-,19-,25-/m1/s1
Affinity DataKi:  27nMAssay Description:Ability to antagonize LTD4 receptors isolated from guinea pig lung membranesMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228510(CHEMBL98517)
Show SMILES CC(CCCc1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H23N5O/c1-16(6-4-11-22-24-26-27-25-22)18-8-5-9-20(14-18)28-15-19-13-12-17-7-2-3-10-21(17)23-19/h2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25,26,27)
Affinity DataKi:  31nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228531(CHEMBL97401)
Show SMILES OC(=O)CCC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C27H25NO3/c29-27(30)17-13-23(21-6-2-1-3-7-21)18-20-10-15-25(16-11-20)31-19-24-14-12-22-8-4-5-9-26(22)28-24/h1-12,14-16,23H,13,17-19H2,(H,29,30)
Affinity DataKi:  31nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228508(CHEMBL329753)
Show SMILES CC(CCc1nnn[nH]1)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H23N5O/c1-16(9-12-22-24-26-27-25-22)13-17-5-4-7-20(14-17)28-15-19-11-10-18-6-2-3-8-21(18)23-19/h2-8,10-11,14,16H,9,12-13,15H2,1H3,(H,24,25,26,27)
Affinity DataKi:  34nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50013534(2-{3-[3-(1H-Tetrazol-5-yl)-propoxy]-phenoxymethyl}...)
Show SMILES C(COc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nnn[nH]1
Show InChI InChI=1S/C20H19N5O2/c1-2-8-19-15(5-1)10-11-16(21-19)14-27-18-7-3-6-17(13-18)26-12-4-9-20-22-24-25-23-20/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23,24,25)
Affinity DataKi:  42nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1/2(Homo sapiens (Human))
ICI Pharmaceuticals Group

Curated by ChEMBL
LigandPNGBDBM50228520(CHEMBL97701)
Show SMILES OC(=O)C1CCC(C1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)18-6-5-17(13-18)15-8-11-20(12-9-15)26-14-19-10-7-16-3-1-2-4-21(16)23-19/h1-4,7-12,17-18H,5-6,13-14H2,(H,24,25)
Affinity DataKi:  43nMAssay Description:In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membraneMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 125 total ) | Next | Last >>
Jump to: