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 = 'BDBM50519052'   

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))	BDBM50519052 (CHEMBL4515048) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(O)c(Cl)c1C |r,wU:10.10,(19.06,-48.95,;18.29,-47.62,;16.75,-47.62,;15.85,-48.87,;14.39,-48.39,;13.05,-49.17,;11.71,-48.4,;11.71,-46.85,;13.05,-46.08,;13.05,-44.54,;11.71,-43.78,;11.71,-42.24,;10.38,-41.47,;10.38,-39.93,;9.05,-39.16,;7.71,-39.93,;7.72,-41.48,;9.06,-42.24,;10.38,-44.55,;9.05,-43.78,;10.38,-46.09,;14.39,-46.85,;15.85,-46.37,;16.32,-44.91,;15.29,-43.77,;15.76,-42.31,;17.27,-41.98,;17.74,-40.52,;18.3,-43.12,;19.81,-42.8,;17.84,-44.59,;18.87,-45.73,)| Show InChI InChI=1S/C24H21ClN2O4S/c1-3-18-19(15-9-10-16(28)21(25)13(15)2)20-22(26-12-27-23(20)32-18)31-17(24(29)30)11-14-7-5-4-6-8-14/h4-10,12,17,28H,3,11H2,1-2H3,(H,29,30)/t17-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	51	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)