Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 12' and Ligand = 'BDBM50367854'   

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)	BDBM50367854 (CHEMBL4164483) Show SMILES Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O |r,wU:13.13,wD:16.20,(21.82,-25.31,;22.6,-26.64,;21.82,-27.98,;22.6,-29.31,;24.13,-29.31,;24.91,-27.98,;26.45,-27.98,;27.22,-29.31,;28.76,-29.31,;29.53,-27.98,;28.76,-26.64,;27.22,-26.64,;31.08,-27.98,;31.85,-26.64,;31.08,-25.31,;31.85,-23.97,;33.39,-23.97,;34.16,-25.31,;33.39,-26.64,;34.16,-22.64,;35.7,-22.64,;36.47,-21.3,;38.02,-21.3,;38.79,-22.64,;38.02,-23.97,;36.47,-23.97,;40.33,-22.64,;41.87,-22.64,;31.85,-29.31,;31.08,-30.65,;33.39,-29.31,;34.16,-30.65,;35.7,-30.65,;36.47,-29.31,;38.02,-29.31,;38.79,-30.65,;38.02,-31.98,;36.47,-31.98,;24.13,-26.64,;24.91,-25.31,)| Show InChI InChI=1S/C32H32N6O2/c1-37-19-5-8-29(31(37)39)25-10-14-27(15-11-25)38(32(40)35-21-23-6-3-2-4-7-23)28-16-12-26(13-17-28)36-30-18-9-24(20-33)22-34-30/h2-11,14-15,18-19,22,26,28H,12-13,16-17,21H2,1H3,(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	250	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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