Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM147100'   

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))	BDBM147100 (US8957074, 140) Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21| Show InChI InChI=1S/C27H34N8O2/c1-32(2)26(37)22-12-17-14-29-27(31-25(17)35(22)18-6-4-5-7-18)30-23-11-10-20(15-28-23)34-16-21-9-8-19(33(21)3)13-24(34)36/h10-12,14-15,18-19,21H,4-9,13,16H2,1-3H3,(H,28,29,30,31)/t19-,21+/m0/s1	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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