Compile Data Set for Download or QSAR

Found 238 hits Enz. Inhib. hit(s) with Target = 'Leukotriene C4 synthase'   

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
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.248	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.248	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519568 (CHEMBL4549822) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C20H20ClF2N3O4/c1-9(2)8-26(15-5-12(21)13(22)6-14(15)23)16-7-24-17(19(25-16)30-3)18(27)10-4-11(10)20(28)29/h5-7,9-11H,4,8H2,1-3H3,(H,28,29)/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.289	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.289	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519570 (CHEMBL4567083) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N3O4/c1-10(2)9-28(15-6-11(21(23,24)25)4-5-14(15)22)16-8-26-17(19(27-16)32-3)18(29)12-7-13(12)20(30)31/h4-6,8,10,12-13H,7,9H2,1-3H3,(H,30,31)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519585 (CHEMBL4464773) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C25H25FN2O4/c1-14(2)13-28(21-9-8-20(26)16-6-4-5-7-17(16)21)15-10-22(32-3)23(27-12-15)24(29)18-11-19(18)25(30)31/h4-10,12,14,18-19H,11,13H2,1-3H3,(H,30,31)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.381	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223289 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...) Show SMILES CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C19H18ClF2N3O4/c1-3-4-25(14-6-11(20)12(21)7-13(14)22)15-8-23-16(18(24-15)29-2)17(26)9-5-10(9)19(27)28/h6-10H,3-5H2,1-2H3,(H,27,28)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.483	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM310035 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(propy...) Show SMILES CCCN(c1cnc(C(=O)C2C[C@@H]2C(O)=O)c(OC)n1)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C19H18ClF2N3O4/c1-3-4-25(14-6-11(20)12(21)7-13(14)22)15-8-23-16(18(24-15)29-2)17(26)9-5-10(9)19(27)28/h6-10H,3-5H2,1-2H3,(H,27,28)/t9?,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.483	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519591 (CHEMBL4562583) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C21H20ClF3N2O4/c1-21(2,25)9-27(16-6-13(22)14(23)7-15(16)24)10-4-17(31-3)18(26-8-10)19(28)11-5-12(11)20(29)30/h4,6-8,11-12H,5,9H2,1-3H3,(H,29,30)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519574 (CHEMBL4563433) Show SMILES CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)c1)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C24H23FN2O4/c1-3-10-27(20-9-8-19(25)15-6-4-5-7-16(15)20)14-11-21(31-2)22(26-13-14)23(28)17-12-18(17)24(29)30/h4-9,11,13,17-18H,3,10,12H2,1-2H3,(H,29,30)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.626	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519588 (CHEMBL4584584) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H21F5N2O4/c1-21(2,24)10-29(16-6-11(22(25,26)27)4-5-15(16)23)12-7-17(33-3)18(28-9-12)19(30)13-8-14(13)20(31)32/h4-7,9,13-14H,8,10H2,1-3H3,(H,31,32)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.658	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.658	n/a	n/a	n/a	n/a	7.5	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-v...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519580 (CHEMBL4574439) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C21H21ClF2N2O4/c1-10(2)9-26(17-6-14(22)15(23)7-16(17)24)11-4-18(30-3)19(25-8-11)20(27)12-5-13(12)21(28)29/h4,6-8,10,12-13H,5,9H2,1-3H3,(H,28,29)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519565 (CHEMBL4441362) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C25H23FN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.758	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519567 (CHEMBL4476024) Show SMILES CCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)c1)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C23H21FN2O4/c1-3-26(19-9-8-18(24)14-6-4-5-7-15(14)19)13-10-20(30-2)21(25-12-13)22(27)16-11-17(16)23(28)29/h4-10,12,16-17H,3,11H2,1-2H3,(H,28,29)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519571 (CHEMBL4454609) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H23ClN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519595 (CHEMBL4545014) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C21H19ClF2N2O4/c1-30-18-4-11(8-25-19(18)20(27)12-5-13(12)21(28)29)26(9-10-2-3-10)17-6-14(22)15(23)7-16(17)24/h4,6-8,10,12-13H,2-3,5,9H2,1H3,(H,28,29)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519569 (CHEMBL4545950) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N2O4/c1-32-18-7-13(9-27-19(18)20(29)14-8-15(14)21(30)31)28(10-11-2-3-11)17-6-12(22(24,25)26)4-5-16(17)23/h4-7,9,11,14-15H,2-3,8,10H2,1H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519585 (CHEMBL4464773) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C25H25FN2O4/c1-14(2)13-28(21-9-8-20(26)16-6-4-5-7-17(16)21)15-10-22(32-3)23(27-12-15)24(29)18-11-19(18)25(30)31/h4-10,12,14,18-19H,11,13H2,1-3H3,(H,30,31)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519582 (CHEMBL4525972) Show SMILES COc1nc(ncc1N(CC1CC1)c1cccc2ccccc12)C(=O)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C24H23N3O4/c1-31-23-20(12-25-22(26-23)21(28)17-11-18(17)24(29)30)27(13-14-9-10-14)19-8-4-6-15-5-2-3-7-16(15)19/h2-8,12,14,17-18H,9-11,13H2,1H3,(H,29,30)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519570 (CHEMBL4567083) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N3O4/c1-10(2)9-28(15-6-11(21(23,24)25)4-5-14(15)22)16-8-26-17(19(27-16)32-3)18(29)12-7-13(12)20(30)31/h4-6,8,10,12-13H,7,9H2,1-3H3,(H,30,31)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519587 (CHEMBL4467942) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C21H20ClFN2O4/c1-29-18-7-13(9-24-19(18)20(26)14-8-15(14)21(27)28)25(10-11-2-3-11)17-6-12(22)4-5-16(17)23/h4-7,9,11,14-15H,2-3,8,10H2,1H3,(H,27,28)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519568 (CHEMBL4549822) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C20H20ClF2N3O4/c1-9(2)8-26(15-5-12(21)13(22)6-14(15)23)16-7-24-17(19(25-16)30-3)18(27)10-4-11(10)20(28)29/h5-7,9-11H,4,8H2,1-3H3,(H,28,29)/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519590 (CHEMBL4574370) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N2O4/c1-12(2)11-27(14-6-4-5-13(7-14)22(23,24)25)15-8-18(31-3)19(26-10-15)20(28)16-9-17(16)21(29)30/h4-8,10,12,16-17H,9,11H2,1-3H3,(H,29,30)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519592 (CHEMBL4442047) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H20Cl2N2O4/c1-29-18-7-13(9-24-19(18)20(26)14-8-15(14)21(27)28)25(10-11-2-3-11)12-4-5-16(22)17(23)6-12/h4-7,9,11,14-15H,2-3,8,10H2,1H3,(H,27,28)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519579 (CHEMBL4576647) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C21H20ClFN2O4/c1-29-18-7-13(9-24-19(18)20(26)14-8-15(14)21(27)28)25(10-11-2-3-11)12-4-5-17(23)16(22)6-12/h4-7,9,11,14-15H,2-3,8,10H2,1H3,(H,27,28)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519575 (CHEMBL4567339) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N2O4/c1-31-18-8-15(10-26-19(18)20(28)16-9-17(16)21(29)30)27(11-12-5-6-12)14-4-2-3-13(7-14)22(23,24)25/h2-4,7-8,10,12,16-17H,5-6,9,11H2,1H3,(H,29,30)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223290 ((1S,2S)-2-[(5-{[2-Fluoro-5-(trifluoromethyl)phenyl...) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C22H22F4N2O4/c1-11(2)10-28(17-6-12(22(24,25)26)4-5-16(17)23)13-7-18(32-3)19(27-9-13)20(29)14-8-15(14)21(30)31/h4-7,9,11,14-15H,8,10H2,1-3H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519574 (CHEMBL4563433) Show SMILES CCCN(c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)c1)c1ccc(F)c2ccccc12 |r| Show InChI InChI=1S/C24H23FN2O4/c1-3-10-27(20-9-8-19(25)15-6-4-5-7-16(15)20)14-11-21(31-2)22(26-13-14)23(28)17-12-18(17)24(29)30/h4-9,11,13,17-18H,3,10,12H2,1-2H3,(H,29,30)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223288 ((1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C21H20F5N3O4/c1-20(2,23)9-29(14-6-10(21(24,25)26)4-5-13(14)22)15-8-27-16(18(28-15)33-3)17(30)11-7-12(11)19(31)32/h4-6,8,11-12H,7,9H2,1-3H3,(H,31,32)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519586 (CHEMBL4439499) Show SMILES CCCN(c1cccc(c1)C(F)(F)F)c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)c1 |r| Show InChI InChI=1S/C21H21F3N2O4/c1-3-7-26(13-6-4-5-12(8-13)21(22,23)24)14-9-17(30-2)18(25-11-14)19(27)15-10-16(15)20(28)29/h4-6,8-9,11,15-16H,3,7,10H2,1-2H3,(H,28,29)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519580 (CHEMBL4574439) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C21H21ClF2N2O4/c1-10(2)9-26(17-6-14(22)15(23)7-16(17)24)11-4-18(30-3)19(25-8-11)20(27)12-5-13(12)21(28)29/h4,6-8,10,12-13H,5,9H2,1-3H3,(H,28,29)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519577 (CHEMBL4439148) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N2O4/c1-21(2,23)11-28(13-6-4-5-12(7-13)22(24,25)26)14-8-17(32-3)18(27-10-14)19(29)15-9-16(15)20(30)31/h4-8,10,15-16H,9,11H2,1-3H3,(H,30,31)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223261 (2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...) Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23 Show InChI InChI=1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223261 (2-(5-((Cyclopropylmethyl)(1,2-dihydroacenaphthylen...) Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1CC1)c1ccc2CCc3cccc1c23 Show InChI InChI=1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.8	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519571 (CHEMBL4454609) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12 |r| Show InChI InChI=1S/C25H23ClN2O4/c1-32-22-10-15(12-27-23(22)24(29)18-11-19(18)25(30)31)28(13-14-6-7-14)21-9-8-20(26)16-4-2-3-5-17(16)21/h2-5,8-10,12,14,18-19H,6-7,11,13H2,1H3,(H,30,31)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223287 ((1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-flu...) Show SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F Show InChI InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519578 (CHEMBL4445815) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(F)(F)F)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H16F6N2O4/c1-32-15-6-12(8-27-16(15)17(29)13-7-14(13)18(30)31)28(9-19(21,22)23)11-4-2-3-10(5-11)20(24,25)26/h2-6,8,13-14H,7,9H2,1H3,(H,30,31)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519589 (CHEMBL4531985) Show SMILES CCN(c1cccc(c1)C(F)(F)F)c1cnc(C(=O)[C@H]2C[C@@H]2C(O)=O)c(OC)c1 |r| Show InChI InChI=1S/C20H19F3N2O4/c1-3-25(12-6-4-5-11(7-12)20(21,22)23)13-8-16(29-2)17(24-10-13)18(26)14-9-15(14)19(27)28/h4-8,10,14-15H,3,9H2,1-2H3,(H,27,28)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519569 (CHEMBL4545950) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1cc(ccc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N2O4/c1-32-18-7-13(9-27-19(18)20(29)14-8-15(14)21(30)31)28(10-11-2-3-11)17-6-12(22(24,25)26)4-5-16(17)23/h4-7,9,11,14-15H,2-3,8,10H2,1H3,(H,30,31)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519566 (CHEMBL4565208) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(Cc1ccc(F)cc1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H20F4N2O4/c1-35-21-10-18(12-30-22(21)23(32)19-11-20(19)24(33)34)31(13-14-5-7-16(26)8-6-14)17-4-2-3-15(9-17)25(27,28)29/h2-10,12,19-20H,11,13H2,1H3,(H,33,34)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519573 (CHEMBL4456770) Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)[C@@H]1C[C@H]1C(O)=O |r| Show InChI InChI=1S/C24H22ClN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519591 (CHEMBL4562583) Show SMILES COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(Cl)c(F)cc1F |r| Show InChI InChI=1S/C21H20ClF3N2O4/c1-21(2,25)9-27(16-6-13(22)14(23)7-15(16)24)10-4-17(31-3)18(26-8-10)19(28)11-5-12(11)20(29)30/h4,6-8,11-12H,5,9H2,1-3H3,(H,29,30)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223281 (2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-4...) Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)C1CC1C(O)=O Show InChI InChI=1S/C24H22ClN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.8	n/a
Astrazeneca Ab US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Pic...				US Patent US20160326143 (2016) BindingDB Entry DOI: 10.7270/Q2W66JN5
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM223281 (2-(5-((Cyclopropylmethyl)(naphthalen-1-yl)amino)-4...) Show SMILES COc1nc(ncc1N(CC1CC1)c1ccc(Cl)c2ccccc12)C(=O)C1CC1C(O)=O Show InChI InChI=1S/C24H22ClN3O4/c1-32-23-20(11-26-22(27-23)21(29)16-10-17(16)24(30)31)28(12-13-6-7-13)19-9-8-18(25)14-4-2-3-5-15(14)19/h2-5,8-9,11,13,16-17H,6-7,10,12H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
					More data for this Ligand-Target Pair

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