BDBM50041171 (R)-2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indol-2-ylmethylsulfanylmethyl]-butyric acid::CHEMBL278632

SMILES: CC[C@@H](CSCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O

InChI Key: InChIKey=CSMUMGBDUUSWKP-YNMFNDETSA-N

Data: 1 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 1 hit for monomerid = 50041171   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50041171 ((R)-2-[1-(4-Chloro-benzyl)-4-methyl-6-(5-phenyl-py...) Show SMILES CC[C@@H](CSCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(O)=O Show InChI InChI=1S/C36H35ClN2O3S2/c1-3-25(36(40)41)21-43-22-32-35-34-30(17-23(2)44-35)33(16-15-31(34)39(32)19-24-9-12-28(37)13-10-24)42-20-29-14-11-27(18-38-29)26-7-5-4-6-8-26/h4-16,18,23,25H,3,17,19-22H2,1-2H3,(H,40,41)/t23?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibition of human 5-Lipoxygenase.				J Med Chem 37: 1153-64 (1994) BindingDB Entry DOI: 10.7270/Q2PV6JF5
					More data for this Ligand-Target Pair