null

SMILES: NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(Cl)ccn2)s1

InChI Key: InChIKey=BOAVXSFJTVSKNR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379644   

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))	BDBM50379644 (CHEMBL2013160) Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(Cl)ccn2)s1 Show InChI InChI=1S/C16H15ClN6OS/c17-12-1-3-20-14(6-12)23-16-22-9-13(25-16)10-5-11(8-19-7-10)15(24)21-4-2-18/h1,3,5-9H,2,4,18H2,(H,21,24)(H,20,22,23)	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	940	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))	BDBM50379644 (CHEMBL2013160) Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(Cl)ccn2)s1 Show InChI InChI=1S/C16H15ClN6OS/c17-12-1-3-20-14(6-12)23-16-22-9-13(25-16)10-5-11(8-19-7-10)15(24)21-4-2-18/h1,3,5-9H,2,4,18H2,(H,21,24)(H,20,22,23)	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	16	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