BDBM50519565 CHEMBL4441362

SMILES: COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(F)c2ccccc12

InChI Key: InChIKey=WTRVUWXJDQYQJK-OALUTQOASA-N

Data: 3 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 3 hits for monomerid = 50519565   

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))	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
					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	27	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))	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	<25	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged LTC4S expressed in in Pichia pastoris X33 assessed as inhibition of EXC4 formation using EXA4 ...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555
					More data for this Ligand-Target Pair