Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50046304   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104905 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104904 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104883 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104872 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104864 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104910 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104869 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104905 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104883 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104839 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104867 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104920 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104871 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104911 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104869 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104836 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104870 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104921 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50009073 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50104920 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104839 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104868 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104870 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50104911 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50033085 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50052024 (CHEMBL787 | montelukast) Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104867 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50104918 (CHEMBL3597631) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H33F4NO5/c1-22-26(9-5-11-31(41)42)27-10-4-7-24(35(27)40(22)19-6-12-32(43)44)16-13-23-14-17-25(18-15-23)45-20-3-2-8-28-29(36)21-30(37)34(39)33(28)38/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-12,19-20H2,1H3,(H,41,42)(H,43,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104918 (CHEMBL3597631) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H33F4NO5/c1-22-26(9-5-11-31(41)42)27-10-4-7-24(35(27)40(22)19-6-12-32(43)44)16-13-23-14-17-25(18-15-23)45-20-3-2-8-28-29(36)21-30(37)34(39)33(28)38/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-12,19-20H2,1H3,(H,41,42)(H,43,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104840 (CHEMBL3597526) Show SMILES Cc1c(F)cccc1CCCCOc1ccc(\C=C\c2cccc3c(CCCC(O)=O)cn(CC(O)=O)c23)cc1 Show InChI InChI=1S/C33H34FNO5/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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50104915 (CHEMBL3597628) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C36H37ClFNO5/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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104838 (CHEMBL3597524) Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4cccc(Cl)c4)cc3)cccc12 Show InChI InChI=1S/C32H32ClNO5/c33-27-10-3-7-24(20-27)6-1-2-19-39-28-17-14-23(15-18-28)13-16-25-8-4-11-29-26(9-5-12-30(35)36)21-34(32(25)29)22-31(37)38/h3-4,7-8,10-11,13-18,20-21H,1-2,5-6,9,12,19,22H2,(H,35,36)(H,37,38)/b16-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104915 (CHEMBL3597628) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C36H37ClFNO5/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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104837 (CHEMBL3597523) Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4ccccc4)cc3)cccc12 Show InChI InChI=1S/C32H33NO5/c34-30(35)14-7-12-27-22-33(23-31(36)37)32-26(11-6-13-29(27)32)18-15-25-16-19-28(20-17-25)38-21-5-4-10-24-8-2-1-3-9-24/h1-3,6,8-9,11,13,15-20,22H,4-5,7,10,12,14,21,23H2,(H,34,35)(H,36,37)/b18-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104918 (CHEMBL3597631) Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H33F4NO5/c1-22-26(9-5-11-31(41)42)27-10-4-7-24(35(27)40(22)19-6-12-32(43)44)16-13-23-14-17-25(18-15-23)45-20-3-2-8-28-29(36)21-30(37)34(39)33(28)38/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-12,19-20H2,1H3,(H,41,42)(H,43,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104868 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50033098 (CHEMBL3342944) Show SMILES OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(OCCCCOC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104865 (CHEMBL3597528) Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4ccccc4)cc3)c2n1CC(O)=O Show InChI InChI=1S/C33H35NO5/c1-24-29(13-8-15-31(35)36)30-14-7-12-27(33(30)34(24)23-32(37)38)19-16-26-17-20-28(21-18-26)39-22-6-5-11-25-9-3-2-4-10-25/h2-4,7,9-10,12,14,16-21H,5-6,8,11,13,15,22-23H2,1H3,(H,35,36)(H,37,38)/b19-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50104919 (CHEMBL3597632) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H32F5NO5/c1-21-25(7-4-8-30(42)43)32-27(36)17-14-23(35(32)41(21)18-5-9-31(44)45)13-10-22-11-15-24(16-12-22)46-19-3-2-6-26-28(37)20-29(38)34(40)33(26)39/h11-12,14-17,20H,2-9,18-19H2,1H3,(H,42,43)(H,44,45)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50023198 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104864 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104865 (CHEMBL3597528) Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4ccccc4)cc3)c2n1CC(O)=O Show InChI InChI=1S/C33H35NO5/c1-24-29(13-8-15-31(35)36)30-14-7-12-27(33(30)34(24)23-32(37)38)19-16-26-17-20-28(21-18-26)39-22-6-5-11-25-9-3-2-4-10-25/h2-4,7,9-10,12,14,16-21H,5-6,8,11,13,15,22-23H2,1H3,(H,35,36)(H,37,38)/b19-16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104872 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104911 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104909 (CHEMBL3597622) Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-12-31(23)35)8-3-4-21-41-28-18-15-25(16-19-28)14-17-27-10-5-11-29-30(22-33(39)40)24(2)36(34(27)29)20-7-13-32(37)38/h5-6,9-12,15-16,18-19H,3-4,7-8,13,20-22H2,1-2H3,(H,37,38)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104904 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104836 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (GUINEA PIG)	BDBM50104921 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 min...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 2 (Homo sapiens (Human))	BDBM50104871 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair
Cysteinyl leukotriene receptor 1 (Homo sapiens (Human))	BDBM50104919 (CHEMBL3597632) Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O Show InChI InChI=1S/C35H32F5NO5/c1-21-25(7-4-8-30(42)43)32-27(36)17-14-23(35(32)41(21)18-5-9-31(44)45)13-10-22-11-15-24(16-12-22)46-19-3-2-6-26-28(37)20-29(38)34(40)33(26)39/h11-12,14-17,20H,2-9,18-19H2,1H3,(H,42,43)(H,44,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Setsunan University Curated by ChEMBL					Assay Description Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...				J Med Chem 58: 6093-113 (2015) Article DOI: 10.1021/acs.jmedchem.5b00741 BindingDB Entry DOI: 10.7270/Q2QJ7K27
					More data for this Ligand-Target Pair

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