Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50245423'   

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))	BDBM50245423 (4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...) Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50245423 (4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...) Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot				Eur J Med Chem 43: 1276-96 (2008) Article DOI: 10.1016/j.ejmech.2007.07.016 BindingDB Entry DOI: 10.7270/Q26M36MC
					More data for this Ligand-Target Pair