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 = 'BDBM50206482'   

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))	BDBM50206482 (CHEMBL3899665) Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H41Cl2N5O12S/c1-44(2,3)63-43(54)49-25-35(62-34-18-10-30(11-19-34)29-8-12-31(45)13-9-29)23-40(49)42(53)47-38(41(52)48-64(59,60)36-20-21-37(46)39(24-36)51(57)58)22-27-6-16-33(17-7-27)61-26-28-4-14-32(15-5-28)50(55)56/h4-21,24,35,38,40H,22-23,25-26H2,1-3H3,(H,47,53)(H,48,52)/t35-,38-,40-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me...				Bioorg Med Chem 25: 138-152 (2017) Article DOI: 10.1016/j.bmc.2016.10.020 BindingDB Entry DOI: 10.7270/Q2P84DWQ
					More data for this Ligand-Target Pair