Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 12' and Ligand = 'BDBM50367919'   

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)	BDBM50367919 (CHEMBL4159594) Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)| Show InChI InChI=1S/C24H26N6O/c1-17(31)30(22-8-4-19(5-9-22)20-15-27-29(2)16-20)23-10-6-21(7-11-23)28-24-12-3-18(13-25)14-26-24/h3-5,8-9,12,14-16,21,23H,6-7,10-11H2,1-2H3,(H,26,28)/t21-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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
					More data for this Ligand-Target Pair