BDBM50159939 CHEMBL3786947

SMILES: Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccccc2C(F)(F)F)cc(C)c1Cl

InChI Key: InChIKey=HJKPOBRXJDMTHB-UHFFFAOYSA-N

Data: 1 KI

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 = 50159939   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50159939 (CHEMBL3786947) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccccc2C(F)(F)F)cc(C)c1Cl Show InChI InChI=1S/C30H28Cl2F3N3O5S/c1-17-14-20(15-18(2)26(17)32)43-12-5-7-22-21-10-9-19(31)16-25(21)37-27(22)29(40)38-44(41,42)13-11-36-28(39)23-6-3-4-8-24(23)30(33,34)35/h3-4,6,8-10,14-16,37H,5,7,11-13H2,1-2H3,(H,36,39)(H,38,40)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...				J Med Chem 59: 2054-66 (2016) BindingDB Entry DOI: 10.7270/Q2F191MW
					More data for this Ligand-Target Pair