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SMILES: Cc1ccc(cn1)-c1cnc(Nc2cccc(NCCCN)n2)s1

InChI Key: InChIKey=OZMDYYHDLBNHMW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379626   

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))	BDBM50379626 (CHEMBL2013059) Show SMILES Cc1ccc(cn1)-c1cnc(Nc2cccc(NCCCN)n2)s1 Show InChI InChI=1S/C17H20N6S/c1-12-6-7-13(10-20-12)14-11-21-17(24-14)23-16-5-2-4-15(22-16)19-9-3-8-18/h2,4-7,10-11H,3,8-9,18H2,1H3,(H2,19,21,22,23)	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	870	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))	BDBM50379626 (CHEMBL2013059) Show SMILES Cc1ccc(cn1)-c1cnc(Nc2cccc(NCCCN)n2)s1 Show InChI InChI=1S/C17H20N6S/c1-12-6-7-13(10-20-12)14-11-21-17(24-14)23-16-5-2-4-15(22-16)19-9-3-8-18/h2,4-7,10-11H,3,8-9,18H2,1H3,(H2,19,21,22,23)	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	27	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