Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1' and Ligand = 'BDBM50252979'   

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))	BDBM50252979 ((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-morpholin-1-yl...) Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCOCC1 Show InChI InChI=1S/C22H21BrN4O3/c23-14-5-6-15-18(13-14)25-22(28)19(15)21-20(16-3-1-2-4-17(16)24-21)26-30-12-9-27-7-10-29-11-8-27/h1-6,13,24H,7-12H2,(H,25,28)/b21-19-,26-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B				J Med Chem 51: 6421-31 (2008) Article DOI: 10.1021/jm800648y BindingDB Entry DOI: 10.7270/Q22808JG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50252979 ((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-morpholin-1-yl...) Show SMILES Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCOCC1 Show InChI InChI=1S/C22H21BrN4O3/c23-14-5-6-15-18(13-14)25-22(28)19(15)21-20(16-3-1-2-4-17(16)24-21)26-30-12-9-27-7-10-29-11-8-27/h1-6,13,24H,7-12H2,(H,25,28)/b21-19-,26-20+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B				J Med Chem 51: 6421-31 (2008) Article DOI: 10.1021/jm800648y BindingDB Entry DOI: 10.7270/Q22808JG
					More data for this Ligand-Target Pair