null

SMILES: Cc1ccc(NC(=O)c2cncc(c2)-c2cnc(Nc3cc(ccn3)N3CCOCC3)s2)s1

InChI Key: InChIKey=CENRERBBOKRKSW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379639   

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))	BDBM50379639 (CHEMBL2013158) Show SMILES Cc1ccc(NC(=O)c2cncc(c2)-c2cnc(Nc3cc(ccn3)N3CCOCC3)s2)s1 Show InChI InChI=1S/C23H22N6O2S2/c1-15-2-3-21(32-15)28-22(30)17-10-16(12-24-13-17)19-14-26-23(33-19)27-20-11-18(4-5-25-20)29-6-8-31-9-7-29/h2-5,10-14H,6-9H2,1H3,(H,28,30)(H,25,26,27)	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))	BDBM50379639 (CHEMBL2013158) Show SMILES Cc1ccc(NC(=O)c2cncc(c2)-c2cnc(Nc3cc(ccn3)N3CCOCC3)s2)s1 Show InChI InChI=1S/C23H22N6O2S2/c1-15-2-3-21(32-15)28-22(30)17-10-16(12-24-13-17)19-14-26-23(33-19)27-20-11-18(4-5-25-20)29-6-8-31-9-7-29/h2-5,10-14H,6-9H2,1H3,(H,28,30)(H,25,26,27)	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	12	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				3D Structure (docked)