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 = 'BDBM50176901'   

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))	BDBM50176901 (CHEMBL3815029) Show SMILES [H][C@]12CC[C@@H](OC3(O)C(=O)c4ccccc4C3=O)[C@]1(C)CC[C@@]1([H])[C@]3([H])CCC(=O)C=C3CC[C@]21[H] |r,c:33| Show InChI InChI=1S/C27H30O5/c1-26-13-12-18-17-9-7-16(28)14-15(17)6-8-19(18)22(26)10-11-23(26)32-27(31)24(29)20-4-2-3-5-21(20)25(27)30/h2-5,14,17-19,22-23,31H,6-13H2,1H3/t17-,18+,19+,22-,23-,26-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli ...				J Med Chem 59: 4152-70 (2016) Article DOI: 10.1021/acs.jmedchem.5b00150 BindingDB Entry DOI: 10.7270/Q2TX3H9R
					More data for this Ligand-Target Pair