Compile Data Set for Download or QSAR
Found 361 with Last Name = 'sekiguchi' and Initial = 't'
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan 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 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50066948(CHEMBL3403187)
Show SMILES OC(=O)CCCN1CC(Oc2c(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H33NO7/c33-29(34)12-7-19-32-22-28(31(35)36)39-30-24(8-6-11-27(30)32)16-13-23-14-17-26(18-15-23)38-21-5-4-20-37-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,28H,4-5,7,12,19-22H2,(H,33,34)(H,35,36)/b16-13+
Affinity DataIC50: 0.310nMAssay 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))
Setsunan 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(Homo sapiens (Human))
Setsunan 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 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50066911(CHEMBL3401689)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)c1nnn[nH]1
Show InChI InChI=1S/C30H32N6O5/c37-27(38)13-7-18-36-20-26(29-32-34-35-33-29)41-28-24(11-6-12-25(28)36)31-30(39)22-14-16-23(17-15-22)40-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,31,39)(H,37,38)(H,32,33,34,35)
Affinity DataIC50: 0.490nMAssay Description:Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan 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(Homo sapiens (Human))
Setsunan 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
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578122(CHEMBL4849848)
Show SMILES Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(ccc3[nH]2)C(F)(F)F)c1N1CCC(N)CC1
Show InChI InChI=1S/C26H26F3N5/c1-15-9-16(2)11-17(10-15)20-13-31-14-21(24(20)34-7-5-19(30)6-8-34)25-32-22-4-3-18(26(27,28)29)12-23(22)33-25/h3-4,9-14,19H,5-8,30H2,1-2H3,(H,32,33)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50033089(CHEMBL3342959)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H34N2O7/c34-28(35)14-8-19-33-21-27(31(37)38)40-29-25(12-7-13-26(29)33)32-30(36)23-15-17-24(18-16-23)39-20-6-2-5-11-22-9-3-1-4-10-22/h1,3-4,7,9-10,12-13,15-18,27H,2,5-6,8,11,14,19-21H2,(H,32,36)(H,34,35)(H,37,38)
Affinity DataIC50: 0.620nMAssay Description:Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan 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(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50066911(CHEMBL3401689)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)c1nnn[nH]1
Show InChI InChI=1S/C30H32N6O5/c37-27(38)13-7-18-36-20-26(29-32-34-35-33-29)41-28-24(11-6-12-25(28)36)31-30(39)22-14-16-23(17-15-22)40-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,31,39)(H,37,38)(H,32,33,34,35)
Affinity DataIC50: 0.790nMAssay Description:Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104910(CHEMBL3597623)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H36ClNO5/c1-24-27(9-6-12-32(24)36)8-3-4-23-42-29-18-15-26(16-19-29)14-17-28-10-5-11-31-30(20-21-34(40)41)25(2)37(35(28)31)22-7-13-33(38)39/h5-6,9-12,15-16,18-19H,3-4,7-8,13,20-23H2,1-2H3,(H,38,39)(H,40,41)
Affinity DataIC50: 0.790nMAssay 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
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578109(CHEMBL4863880)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Show InChI InChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-22(28)6-8-31)27(32)30-23-13-19(3)10-20(4)14-23/h9-16,22H,5-8,28H2,1-4H3,(H,30,32)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104869(CHEMBL3597532)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-25(8-5-10-28(39)40)26-9-4-7-22(33(26)38(20)19-29(41)42)14-11-21-12-15-24(16-13-21)43-17-3-2-6-23-18-27(34)31(36)32(37)30(23)35/h4,7,9,11-16,18H,2-3,5-6,8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
Affinity DataIC50: 0.800nMAssay 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 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50033094(CHEMBL3342964)
Show SMILES OC(=O)CCCN1C[C@H](Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C30H32N2O7/c33-27(34)13-7-18-32-20-26(30(36)37)39-28-24(11-6-12-25(28)32)31-29(35)22-14-16-23(17-15-22)38-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,31,35)(H,33,34)(H,36,37)/t26-/m0/s1
Affinity DataIC50: 0.870nMAssay Description:Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

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: 0.880nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

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: 0.890nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578113(CHEMBL4854239)
Show SMILES NC1CCN(CC1)c1c(NC(=O)c2ccccc2)cncc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22Cl2N4O/c24-17-10-16(11-18(25)12-17)20-13-27-14-21(22(20)29-8-6-19(26)7-9-29)28-23(30)15-4-2-1-3-5-15/h1-5,10-14,19H,6-9,26H2,(H,28,30)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50104867(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
Affinity DataIC50: 1nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104839(CHEMBL3597525)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12
Show InChI InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+
Affinity DataIC50: 1nMAssay 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))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50033083(CHEMBL3342953)
Show SMILES OC(=O)CCCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H32N2O8/c34-27(13-7-14-28(35)36)33-20-26(31(38)39)41-29-24(11-6-12-25(29)33)32-30(37)22-15-17-23(18-16-22)40-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,15-18,26H,4-5,7,10,13-14,19-20H2,(H,32,37)(H,35,36)(H,38,39)
Affinity DataIC50: 1nMAssay 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
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578123(CHEMBL4872591)
Show SMILES Cc1ccc2[nH]c(nc2c1)-c1cncc(-c2cc(C)cc(C)c2)c1N1CCC(N)CC1
Show InChI InChI=1S/C26H29N5/c1-16-4-5-23-24(13-16)30-26(29-23)22-15-28-14-21(19-11-17(2)10-18(3)12-19)25(22)31-8-6-20(27)7-9-31/h4-5,10-15,20H,6-9,27H2,1-3H3,(H,29,30)
Affinity DataIC50: 1nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSphingosine 1-phosphate receptor 2(Rattus norvegicus (Rat))
Ono Pharmaceutical Co., Ltd

US Patent
LigandPNGBDBM149710(US8975409, Example 38)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(c1)C(=O)Oc1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C33H37FN2O7/c1-21(2)20-33(41)13-15-36(16-14-33)31(40)35-25-17-22(18-28(19-25)42-26-11-7-24(34)8-12-26)29(37)43-27-9-5-23(6-10-27)32(3,4)30(38)39/h5-12,17-19,21,41H,13-16,20H2,1-4H3,(H,35,40)(H,38,39)
Affinity DataIC50: 1nMpH: 7.2 T: 2°CAssay Description:Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104920(CHEMBL3597633)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
Affinity DataIC50: 1.10nMAssay 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))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104871(CHEMBL3597534)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36FNO5/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: 1.10nMAssay 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))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50033060(CHEMBL3342952)
Show SMILES OC(=O)CCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C30H30N2O8/c33-26(16-17-27(34)35)32-19-25(30(37)38)40-28-23(10-6-11-24(28)32)31-29(36)21-12-14-22(15-13-21)39-18-5-4-9-20-7-2-1-3-8-20/h1-3,6-8,10-15,25H,4-5,9,16-19H2,(H,31,36)(H,34,35)(H,37,38)
Affinity DataIC50: 1.40nMAssay 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 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50104869(CHEMBL3597532)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-25(8-5-10-28(39)40)26-9-4-7-22(33(26)38(20)19-29(41)42)14-11-21-12-15-24(16-13-21)43-17-3-2-6-23-18-27(34)31(36)32(37)30(23)35/h4,7,9,11-16,18H,2-3,5-6,8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104836(CHEMBL3597522)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCOc4ccccc4)cc3)cccc12
Show InChI InChI=1S/C32H33NO6/c34-30(35)13-7-9-26-22-33(23-31(36)37)32-25(8-6-12-29(26)32)17-14-24-15-18-28(19-16-24)39-21-5-4-20-38-27-10-2-1-3-11-27/h1-3,6,8,10-12,14-19,22H,4-5,7,9,13,20-21,23H2,(H,34,35)(H,36,37)/b17-14+
Affinity DataIC50: 1.5nMAssay 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))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104911(CHEMBL3597624)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
Affinity DataIC50: 1.5nMAssay 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))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104870(CHEMBL3597533)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-27(34)18-28(35)32(37)31(26)36/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
Affinity DataIC50: 1.60nMAssay 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
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578110(CHEMBL4845867)
Show SMILES Cc1cc(C)cc(c1)C(=O)Nc1cncc(-c2cc(C)cc(C)c2)c1N1CCC(N)CC1
Show InChI InChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-23(28)6-8-31)30-27(32)22-13-19(3)10-20(4)14-22/h9-16,23H,5-8,28H2,1-4H3,(H,30,32)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578108(CHEMBL4878248)
Show SMILES Cc1cc(C)cc(CNc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Show InChI InChI=1S/C27H34N4/c1-18-9-19(2)12-22(11-18)15-30-26-17-29-16-25(23-13-20(3)10-21(4)14-23)27(26)31-7-5-24(28)6-8-31/h9-14,16-17,24,30H,5-8,15,28H2,1-4H3
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSphingosine 1-phosphate receptor 2(Rattus norvegicus (Rat))
Ono Pharmaceutical Co., Ltd

US Patent
LigandPNGBDBM149709(US8975409, Example 19)
Show SMILES CC(C)CC1(O)CN(C1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C30H33FN2O6/c1-19(2)16-30(37)17-33(18-30)28(36)32-22-13-25(15-26(14-22)39-24-11-7-21(31)8-12-24)38-23-9-5-20(6-10-23)29(3,4)27(34)35/h5-15,19,37H,16-18H2,1-4H3,(H,32,36)(H,34,35)
Affinity DataIC50: 1.70nMpH: 7.2 T: 2°CAssay Description:Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578107(CHEMBL4845931)
Show SMILES Cc1cc(C)cc(OCc2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Show InChI InChI=1S/C27H33N3O/c1-18-9-19(2)12-22(11-18)26-16-29-15-23(27(26)30-7-5-24(28)6-8-30)17-31-25-13-20(3)10-21(4)14-25/h9-16,24H,5-8,17,28H2,1-4H3
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578121(CHEMBL4860633)
Show SMILES Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(Cl)ccc3[nH]2)c1N1CCC(N)CC1
Show InChI InChI=1S/C25H26ClN5/c1-15-9-16(2)11-17(10-15)20-13-28-14-21(24(20)31-7-5-19(27)6-8-31)25-29-22-4-3-18(26)12-23(22)30-25/h3-4,9-14,19H,5-8,27H2,1-2H3,(H,29,30)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104921(CHEMBL3597634)
Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
Affinity DataIC50: 1.70nMAssay 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))
Setsunan University

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 DataIC50: 1.90nMAssay Description:Antagonist activity at human CysLT1More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578114(CHEMBL4862717)
Show SMILES NC1CCN(CC1)c1c(NC(=O)c2cn3ccccc3n2)cncc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22Cl2N6O/c25-16-9-15(10-17(26)11-16)19-12-28-13-20(23(19)31-7-4-18(27)5-8-31)30-24(33)21-14-32-6-2-1-3-22(32)29-21/h1-3,6,9-14,18H,4-5,7-8,27H2,(H,30,33)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104920(CHEMBL3597633)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
Affinity DataIC50: 2nMAssay Description:Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578111(CHEMBL4861425)
Show SMILES Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(C)cc(C)c3[nH]2)c1N1CCC(N)CC1
Show InChI InChI=1S/C27H31N5/c1-16-9-17(2)12-20(11-16)22-14-29-15-23(26(22)32-7-5-21(28)6-8-32)27-30-24-13-18(3)10-19(4)25(24)31-27/h9-15,21H,5-8,28H2,1-4H3,(H,30,31)
Affinity DataIC50: 2nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50104839(CHEMBL3597525)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12
Show InChI InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+
Affinity DataIC50: 2.10nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50104870(CHEMBL3597533)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-27(34)18-28(35)32(37)31(26)36/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578120(CHEMBL4858892)
Show SMILES Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(ccc3[nH]2)C#N)c1N1CCC(N)CC1
Show InChI InChI=1S/C26H26N6/c1-16-9-17(2)11-19(10-16)21-14-29-15-22(25(21)32-7-5-20(28)6-8-32)26-30-23-4-3-18(13-27)12-24(23)31-26/h3-4,9-12,14-15,20H,5-8,28H2,1-2H3,(H,30,31)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(GUINEA PIG)
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104911(CHEMBL3597624)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104868(CHEMBL3597531)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)c(F)cc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-24(8-5-10-29(39)40)25-9-4-6-22(33(25)38(20)19-30(41)42)14-11-21-12-15-23(16-13-21)43-17-3-2-7-26-31(36)27(34)18-28(35)32(26)37/h4,6,9,11-16,18H,2-3,5,7-8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
Affinity DataIC50: 2.20nMAssay 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
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM149712(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
Affinity DataIC50: 2.30nMAssay Description:Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan 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: 2.30nMAssay Description:Antagonist activity at human CysLT1More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50033085(CHEMBL3342955)
Show SMILES OC(=O)CCCN1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C30H32N2O7/c33-27(34)13-7-18-32-20-26(30(36)37)39-28-24(11-6-12-25(28)32)31-29(35)22-14-16-23(17-15-22)38-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,14-17,26H,4-5,7,10,13,18-20H2,(H,31,35)(H,33,34)(H,36,37)
Affinity DataIC50: 2.30nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM149712(US8975409, Example 9)
Show SMILES CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(C)(C)C(O)=O)c1
Show InChI InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)
Affinity DataIC50: 2.30nMpH: 7.2 T: 2°CAssay Description:Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an ...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104867(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
Affinity DataIC50: 2.40nMAssay 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
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