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 = 'BDBM50519042'   

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))	BDBM50519042 (CHEMBL4515659) Show SMILES CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cccc(Cl)c1C |r,wU:10.10,(17.11,-30.89,;16.34,-29.56,;14.8,-29.56,;13.9,-30.8,;12.43,-30.33,;11.1,-31.11,;9.76,-30.34,;9.76,-28.79,;11.1,-28.02,;11.09,-26.48,;9.76,-25.71,;9.76,-24.17,;8.42,-23.41,;8.43,-21.86,;7.09,-21.1,;5.76,-21.87,;5.77,-23.42,;7.1,-24.18,;8.43,-26.49,;7.09,-25.72,;8.43,-28.03,;12.43,-28.79,;13.9,-28.31,;14.37,-26.84,;13.34,-25.71,;13.81,-24.25,;15.32,-23.92,;16.35,-25.06,;17.86,-24.73,;15.88,-26.53,;16.91,-27.67,)| Show InChI InChI=1S/C24H22ClN3O2S/c1-3-19-20(16-10-7-11-17(25)14(16)2)21-22(26-13-27-23(21)31-19)28-18(24(29)30)12-15-8-5-4-6-9-15/h4-11,13,18H,3,12H2,1-2H3,(H,29,30)(H,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Servier Research Institute of Medicinal Chemistry Curated by ChEMBL					Assay Description Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS c...				J Med Chem 62: 6913-6924 (2019) Article DOI: 10.1021/acs.jmedchem.9b00134 BindingDB Entry DOI: 10.7270/Q2DZ0CPH
					More data for this Ligand-Target Pair				3D Structure (crystal)