Compile Data Set for Download or QSAR

Found 671 hits with Last Name = 'rohman' and Initial = 'm'   

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	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))	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))	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))	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))	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	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
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50262998 (CHEMBL477548 | mesyl-2-(3-(2-amino-2-oxoacetyl)-1-...) Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C24H27N3O6S/c1-15(2)12-18-22(23(29)24(25)30)21-17(27(18)13-16-8-5-4-6-9-16)10-7-11-19(21)33-14-20(28)26-34(3,31)32/h4-11,15H,12-14H2,1-3H3,(H2,25,30)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to sPLA2X (unknown origin)				Bioorg Med Chem Lett 24: 5251-5 (2014) Article DOI: 10.1016/j.bmcl.2014.09.058 BindingDB Entry DOI: 10.7270/Q2668FS8
					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))	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
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM445676 (Ex. 14/KM-06-64/(I-14) | US10683309, Example 14 | ...) Show SMILES CCn1c2nc(Cc3cn4ccsc4n3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C20H18N6O2S/c1-2-25-17-16(18(27)23-19(25)28)26(11-13-6-4-3-5-7-13)15(22-17)10-14-12-24-8-9-29-20(24)21-14/h3-9,12H,2,10-11H2,1H3,(H,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V. US Patent					Assay Description The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...				US Patent US10683309 (2020) BindingDB Entry DOI: 10.7270/Q2NG4TQ6
					More data for this Ligand-Target Pair
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM445676 (Ex. 14/KM-06-64/(I-14) | US10683309, Example 14 | ...) Show SMILES CCn1c2nc(Cc3cn4ccsc4n3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C20H18N6O2S/c1-2-25-17-16(18(27)23-19(25)28)26(11-13-6-4-3-5-7-13)15(22-17)10-14-12-24-8-9-29-20(24)21-14/h3-9,12H,2,10-11H2,1H3,(H,23,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V. US Patent					Assay Description The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...				US Patent US11028104 (2021) BindingDB Entry DOI: 10.7270/Q2JM2DRC
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055366 ((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...) Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate ...				ACS Med Chem Lett 9: 594-599 (2018) Article DOI: 10.1021/acsmedchemlett.7b00505 BindingDB Entry DOI: 10.7270/Q2Z60RMJ
					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
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM357737 (KM-05-166/(I-206) | US10214530, Example 24) Show SMILES CCn1c2nc(Cc3nc4cc5OCOc5cc4[nH]3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C23H20N6O4/c1-2-28-21-20(22(30)27-23(28)31)29(11-13-6-4-3-5-7-13)19(26-21)10-18-24-14-8-16-17(33-12-32-16)9-15(14)25-18/h3-9H,2,10-12H2,1H3,(H,24,25)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00598 BindingDB Entry DOI: 10.7270/Q2G164VF
					More data for this Ligand-Target Pair
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM357735 (KM-05-193/(I-209) | US10214530, Example 27) Show SMILES CCCn1c2nc(Cc3nc4cc5OCOc5cc4[nH]3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N6O4/c1-2-8-29-22-21(23(31)28-24(29)32)30(12-14-6-4-3-5-7-14)20(27-22)11-19-25-15-9-17-18(34-13-33-17)10-16(15)26-19/h3-7,9-10H,2,8,11-13H2,1H3,(H,25,26)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00598 BindingDB Entry DOI: 10.7270/Q2G164VF
					More data for this Ligand-Target Pair
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM445677 (Ex. 15/KM-06-96/(I-15) | US10683309, Example 15 | ...) Show SMILES CCn1c2nc(Cc3cn4ccsc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N8O2S/c1-3-31-21-20(22(33)27-23(31)34)32(19(26-21)12-17-14-30-10-11-35-24(30)25-17)13-15-4-6-16(7-5-15)18-8-9-29(2)28-18/h4-11,14H,3,12-13H2,1-2H3,(H,27,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V. US Patent					Assay Description The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...				US Patent US11028104 (2021) BindingDB Entry DOI: 10.7270/Q2JM2DRC
					More data for this Ligand-Target Pair
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM445677 (Ex. 15/KM-06-96/(I-15) | US10683309, Example 15 | ...) Show SMILES CCn1c2nc(Cc3cn4ccsc4n3)n(Cc3ccc(cc3)-c3ccn(C)n3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N8O2S/c1-3-31-21-20(22(33)27-23(31)34)32(19(26-21)12-17-14-30-10-11-35-24(30)25-17)13-15-4-6-16(7-5-15)18-8-9-29(2)28-18/h4-11,14H,3,12-13H2,1-2H3,(H,27,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V. US Patent					Assay Description The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...				US Patent US10683309 (2020) BindingDB Entry DOI: 10.7270/Q2NG4TQ6
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458617 (CHEMBL4215835) Show SMILES CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(7-17(26)27)13-3-2-4-16(24-13)25-14-9-12(29-19(20,21)22)6-5-11(14)8-15(25)18(23)28/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					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
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM357735 (KM-05-193/(I-209) | US10214530, Example 27) Show SMILES CCCn1c2nc(Cc3nc4cc5OCOc5cc4[nH]3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C24H22N6O4/c1-2-8-29-22-21(23(31)28-24(29)32)30(12-14-6-4-3-5-7-14)20(27-22)11-19-25-15-9-17-18(34-13-33-17)10-16(15)26-19/h3-7,9-10H,2,8,11-13H2,1H3,(H,25,26)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN US Patent					Assay Description These compounds according to the afore-mentioned examples were tested for tryptophan hydroxylase (TPH) inhibitory activity in a fluorescence-based in...				US Patent US10214530 (2019) BindingDB Entry DOI: 10.7270/Q25B04SK
					More data for this Ligand-Target Pair
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM357737 (KM-05-166/(I-206) | US10214530, Example 24) Show SMILES CCn1c2nc(Cc3nc4cc5OCOc5cc4[nH]3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C23H20N6O4/c1-2-28-21-20(22(30)27-23(28)31)29(11-13-6-4-3-5-7-13)19(26-21)10-18-24-14-8-16-17(33-12-32-16)9-15(14)25-18/h3-9H,2,10-12H2,1H3,(H,24,25)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN US Patent					Assay Description These compounds according to the afore-mentioned examples were tested for tryptophan hydroxylase (TPH) inhibitory activity in a fluorescence-based in...				US Patent US10214530 (2019) BindingDB Entry DOI: 10.7270/Q25B04SK
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458617 (CHEMBL4215835) Show SMILES CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O Show InChI InChI=1S/C19H16F3N3O4/c1-10(7-17(26)27)13-3-2-4-16(24-13)25-14-9-12(29-19(20,21)22)6-5-11(14)8-15(25)18(23)28/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					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
Tryptophan 5-hydroxylase 2 (Homo sapiens (Human))	BDBM445685 (Ex. 21/KM-06-108/(I-21) | US10683309, Example 21 |...) Show SMILES CCn1c2nc(Cc3cn4cc(Cl)sc4n3)n(Cc3ccccc3)c2c(=O)[nH]c1=O Show InChI InChI=1S/C20H17ClN6O2S/c1-2-26-17-16(18(28)24-19(26)29)27(9-12-6-4-3-5-7-12)15(23-17)8-13-10-25-11-14(21)30-20(25)22-13/h3-7,10-11H,2,8-9H2,1H3,(H,24,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN; FORSCHUNGSVERBUND BERLIN E.V. US Patent					Assay Description The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...				US Patent US11028104 (2021) BindingDB Entry DOI: 10.7270/Q2JM2DRC
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50458614 (CHEMBL4210991) Show SMILES C[C@@H](CC(O)=O)c1cccc(c1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O |r| Show InChI InChI=1S/C20H17F3N2O4/c1-11(7-18(26)27)12-3-2-4-14(8-12)25-16-10-15(29-20(21,22)23)6-5-13(16)9-17(25)19(24)28/h2-6,8-11H,7H2,1H3,(H2,24,28)(H,26,27)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substr...				ACS Med Chem Lett 9: 600-605 (2018) Article DOI: 10.1021/acsmedchemlett.7b00507 BindingDB Entry DOI: 10.7270/Q2Z32272
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 671 total )  |  Next  |  Last  >>

Jump to: