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SMILES: C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2cncnc2)n1

InChI Key: InChIKey=UOSJYZIEZUKMHD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379630   

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))	BDBM50379630 (CHEMBL2013063) Show SMILES C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2cncnc2)n1 Show InChI InChI=1S/C16H17N7S/c1-2-14(21-15(3-1)23-6-4-17-5-7-23)22-16-20-10-13(24-16)12-8-18-11-19-9-12/h1-3,8-11,17H,4-7H2,(H,20,21,22)	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	410	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))	BDBM50379630 (CHEMBL2013063) Show SMILES C1CN(CCN1)c1cccc(Nc2ncc(s2)-c2cncnc2)n1 Show InChI InChI=1S/C16H17N7S/c1-2-14(21-15(3-1)23-6-4-17-5-7-23)22-16-20-10-13(24-16)12-8-18-11-19-9-12/h1-3,8-11,17H,4-7H2,(H,20,21,22)	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	160	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