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 = 'BDBM50448451'   

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))	BDBM50448451 (CHEMBL3126120) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r,wU:5.14,(37.04,-56.68,;38.37,-57.46,;38.38,-58.99,;39.71,-56.69,;39.71,-55.15,;41.04,-54.38,;42.38,-55.15,;42.38,-56.69,;43.71,-57.46,;43.7,-59,;45.03,-59.77,;46.37,-59,;46.36,-57.45,;45.03,-56.69,;41.05,-52.84,;39.71,-52.07,;38.38,-52.83,;37.05,-52.06,;37.06,-50.53,;38.38,-49.75,;39.71,-50.52,;41.05,-49.74,;42.39,-50.51,;41.05,-48.2,;35.72,-49.75,;34.18,-49.75,;34.95,-51.08,;35.73,-48.21,;34.39,-47.44,;33.06,-48.21,;34.39,-45.9,;35.73,-45.12,;35.72,-43.59,;37.05,-42.81,;34.39,-42.82,;33.05,-43.59,;31.72,-42.82,;33.05,-45.13,;34.39,-41.29,;33.05,-40.51,;33.06,-38.97,;34.38,-38.2,;35.72,-38.96,;37.2,-38.48,;37.67,-37.02,;36.64,-35.87,;37.12,-34.41,;36.08,-33.27,;36.56,-31.8,;35.53,-30.67,;36,-29.2,;37.51,-28.88,;38.54,-30.02,;40.04,-29.7,;41.06,-30.84,;40.59,-32.31,;39.09,-32.62,;38.06,-31.48,;38.11,-39.74,;37.2,-40.99,;35.72,-40.51,;39.65,-39.74,;40.42,-41.07,;40.42,-38.4,)| Show InChI InChI=1S/C48H48N6O8S2/c1-31-27-34(47(55)51-64(60,61)37-22-23-40(43(29-37)54(58)59)49-35(24-25-52(3)4)30-63-36-15-6-5-7-16-36)28-32(2)45(31)42-20-11-19-41-39(46(48(56)57)50-53(41)42)18-12-26-62-44-21-10-14-33-13-8-9-17-38(33)44/h5-11,13-17,19-23,27-29,35,49H,12,18,24-26,30H2,1-4H3,(H,51,55)(H,56,57)/t35-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay				J Med Chem 56: 9635-45 (2014) Article DOI: 10.1021/jm401170c BindingDB Entry DOI: 10.7270/Q2MS3V86
					More data for this Ligand-Target Pair