Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50162991'   

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 (Mus musculus)	BDBM50162991 (3-(1-Benzo[b]thiophen-2-yl-1H-indol-3-yl)-4-[1-(3-...) Show SMILES CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C32H27N5O2S/c1-35(2)16-9-17-37-25-14-7-4-12-22(25)30(34-37)29-28(31(38)33-32(29)39)23-18-36(24-13-6-3-10-20(23)24)26-19-40-27-15-8-5-11-21(26)27/h3-8,10-15,18-19H,9,16-17H2,1-2H3,(H,33,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1 in P19 cells				J Med Chem 48: 1725-8 (2005) Article DOI: 10.1021/jm049478u BindingDB Entry DOI: 10.7270/Q2765DVX
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