Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50448453'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50448453 (CHEMBL3126118) Show SMILES Cc1cc(ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C50H48F3N5O9S3/c1-33-30-35(19-21-39(33)43-16-8-17-44-41(47(49(60)61)55-58(43)44)15-9-27-67-45-18-7-11-34-10-5-6-14-40(34)45)48(59)56-70(64,65)38-20-22-42(46(31-38)69(62,63)50(51,52)53)54-36(23-24-57-25-28-66-29-26-57)32-68-37-12-3-2-4-13-37/h2-8,10-14,16-22,30-31,36,54H,9,15,23-29,32H2,1H3,(H,56,59)(H,60,61)/t36-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay				J Med Chem 56: 9635-45 (2014) Article DOI: 10.1021/jm401170c BindingDB Entry DOI: 10.7270/Q2MS3V86
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