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 = 'BDBM50519040'   

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))	BDBM50519040 (CHEMBL4537357) Show SMILES CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(O)=O)c2c1-c1cc(N2CCN(C)CC2)c(O)c(Cl)c1C |r,wU:10.10,(62.82,-50.77,;62.05,-49.44,;60.51,-49.44,;59.61,-50.69,;58.14,-50.21,;56.81,-50.99,;55.47,-50.22,;55.47,-48.68,;56.81,-47.91,;56.8,-46.37,;55.47,-45.6,;55.47,-44.06,;54.13,-43.29,;54.14,-41.75,;52.8,-40.98,;51.47,-41.76,;51.48,-43.3,;52.81,-44.06,;54.14,-46.37,;52.8,-45.6,;54.14,-47.91,;58.14,-48.67,;59.61,-48.19,;60.08,-46.73,;59.05,-45.6,;59.52,-44.13,;58.48,-42.99,;58.96,-41.53,;57.93,-40.39,;56.42,-40.71,;55.39,-39.57,;55.95,-42.18,;56.98,-43.33,;61.03,-43.81,;61.5,-42.34,;62.06,-44.94,;63.57,-44.62,;61.59,-46.41,;62.62,-47.56,)| Show InChI InChI=1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	46	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)