BDBM50159934 CHEMBL3785823

SMILES: Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccoc2)cc(C)c1Cl

InChI Key: InChIKey=CGDLPVKXRQHGMX-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 = 50159934   

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))	BDBM50159934 (CHEMBL3785823) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccoc2)cc(C)c1Cl Show InChI InChI=1S/C27H27Cl2N3O6S/c1-16-12-20(13-17(2)24(16)29)38-9-3-4-22-21-6-5-19(28)14-23(21)31-25(22)27(34)32-39(35,36)11-8-30-26(33)18-7-10-37-15-18/h5-7,10,12-15,31H,3-4,8-9,11H2,1-2H3,(H,30,33)(H,32,34)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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
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