null

SMILES: NCCNC(=O)c1cncc(c1)-c1cnc(Nc2ccccc2Cl)s1

InChI Key: InChIKey=DNPCRZZEHRJWOJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379648   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50379648 (CHEMBL2013165) Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2ccccc2Cl)s1 Show InChI InChI=1S/C17H16ClN5OS/c18-13-3-1-2-4-14(13)23-17-22-10-15(25-17)11-7-12(9-20-8-11)16(24)21-6-5-19/h1-4,7-10H,5-6,19H2,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK7				Bioorg Med Chem Lett 22: 2613-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.120 BindingDB Entry DOI: 10.7270/Q23B615X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50379648 (CHEMBL2013165) Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2ccccc2Cl)s1 Show InChI InChI=1S/C17H16ClN5OS/c18-13-3-1-2-4-14(13)23-17-22-10-15(25-17)11-7-12(9-20-8-11)16(24)21-6-5-19/h1-4,7-10H,5-6,19H2,(H,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 by time resolved fluorescence assay				Bioorg Med Chem Lett 22: 2613-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.120 BindingDB Entry DOI: 10.7270/Q23B615X
					More data for this Ligand-Target Pair