BDBM223288 (1S,2S)-2-[(5-{(2-Fluoro-2-methylpropyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino}-3-methoxypyrazin-2-yl)carbonyl]cyclopropanecarboxylic acid::US20160326143, 63::US9657001, 63

SMILES: COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)(C)F)c1cc(ccc1F)C(F)(F)F

InChI Key: InChIKey=ACQYAZLJSNPFDC-RYUDHWBXSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 223288   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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	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
					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
					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