BDBM50160002 CHEMBL3786051

SMILES: Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl

InChI Key: InChIKey=SSTFYXCIQVCBLV-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 = 50160002   

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))	BDBM50160002 (CHEMBL3786051) Show SMILES Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccnc2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C32H30ClN3O4S/c1-20-18-23(19-21(2)29(20)33)40-17-9-15-28-27-13-7-12-26(25-14-8-16-34-22(25)3)30(27)35-31(28)32(37)36-41(38,39)24-10-5-4-6-11-24/h4-8,10-14,16,18-19,35H,9,15,17H2,1-3H3,(H,36,37)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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