Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM147004'   

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 1 (Homo sapiens (Human))	BDBM147004 (US8957074, 43) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r| Show InChI InChI=1S/C28H33N7O3/c1-33(2)26(38)22-9-17-15-30-27(32-25(17)34(22)18-5-3-4-6-18)31-23-8-7-16(14-29-23)24(37)28-12-19-10-21(36)11-20(13-28)35(19)28/h7-9,14-15,18-21,36H,3-6,10-13H2,1-2H3,(H,29,30,31,32)/t19?,20?,21-,28?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	25
Novartis AG US Patent					Assay Description A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...				US Patent US8957074 (2015) BindingDB Entry DOI: 10.7270/Q2K0730S
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