Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 12' and Ligand = 'BDBM50367843'   

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
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367843 (CHEMBL4174324) Show SMILES CCNC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:6.5,wD:9.12,(20.34,-20.62,;21.68,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.61,-22.92,;18.97,-26.02,;17.63,-25.26,;16.3,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.58,-23.73,;26.95,-23.02,;28.25,-23.85,;28.18,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.43,-26.75,;30.92,-25.65,)| Show InChI InChI=1S/C25H29N7O/c1-3-27-25(33)32(22-9-5-19(6-10-22)20-16-29-31(2)17-20)23-11-7-21(8-12-23)30-24-13-4-18(14-26)15-28-24/h4-6,9-10,13,15-17,21,23H,3,7-8,11-12H2,1-2H3,(H,27,33)(H,28,30)/t21-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
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