Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 12' and Ligand = 'BDBM50367679'   

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)	BDBM50367679 (CHEMBL4164064) Show SMILES Cn1c(cccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(12.97,-30.07,;12.2,-31.41,;12.97,-32.74,;12.2,-34.08,;10.66,-34.08,;9.88,-32.74,;10.66,-31.41,;9.88,-30.07,;14.51,-32.74,;15.28,-34.08,;16.83,-34.08,;17.59,-32.74,;16.83,-31.41,;15.28,-31.41,;19.14,-32.74,;19.91,-31.41,;19.14,-30.07,;19.91,-28.74,;21.45,-28.74,;22.22,-30.07,;21.45,-31.41,;22.22,-27.4,;23.76,-27.4,;24.53,-26.07,;26.08,-26.07,;26.85,-27.4,;26.08,-28.74,;24.53,-28.74,;28.39,-27.4,;29.93,-27.4,;19.91,-34.08,;19.14,-35.41,;21.45,-34.08,;22.22,-35.41,;23.76,-35.41,;24.53,-34.08,;26.08,-34.08,;26.85,-35.41,;26.08,-36.75,;24.53,-36.75,)| Show InChI InChI=1S/C32H32N6O2/c1-37-29(8-5-9-31(37)39)25-11-15-27(16-12-25)38(32(40)35-21-23-6-3-2-4-7-23)28-17-13-26(14-18-28)36-30-19-10-24(20-33)22-34-30/h2-12,15-16,19,22,26,28H,13-14,17-18,21H2,1H3,(H,34,36)(H,35,40)/t26-,28-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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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