BDBM50053230 CHEMBL3330237

SMILES: O=c1[nH]c2ccsc2c(NC2CCNC2)c1-c1nc2ccccc2[nH]1

InChI Key: InChIKey=BPZPMNUSOUACHX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053230   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50053230 (CHEMBL3330237) Show SMILES O=c1[nH]c2ccsc2c(NC2CCNC2)c1-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H17N5OS/c24-18-14(17-21-11-3-1-2-4-12(11)22-17)15(20-10-5-7-19-9-10)16-13(23-18)6-8-25-16/h1-4,6,8,10,19H,5,7,9H2,(H,21,22)(H2,20,23,24)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay				Bioorg Med Chem 22: 4882-92 (2014) Article DOI: 10.1016/j.bmc.2014.06.044 BindingDB Entry DOI: 10.7270/Q2TM7CRB
					More data for this Ligand-Target Pair