Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7' and Ligand = 'BDBM50261164'   

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
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50261164 (CHEMBL4103221) Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)| Show InChI InChI=1S/C23H22ClN7O/c1-14-4-2-7-19(29-14)23(32)30-17-9-18(10-17)31-13-28-20-21(26-12-27-22(20)31)25-11-15-5-3-6-16(24)8-15/h2-8,12-13,17-18H,9-11H2,1H3,(H,30,32)(H,25,26,27)/t17-,18+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human CDK7/CyclinH/MAT1				Bioorg Med Chem Lett 27: 4399-4404 (2017) Article DOI: 10.1016/j.bmcl.2017.08.018 BindingDB Entry DOI: 10.7270/Q2W66P60
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