BDBM47566 MLS000519937::SMR000130352::cid_4169684

SMILES: O=C(NCc1cccnc1)c1cccn2c1nc1ccsc1c2=O

InChI Key: InChIKey=AJNMITYJXOKFDX-UHFFFAOYSA-N

Data: 1 EC50

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 = 47566   

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
glutathione S-transferase (Homo sapiens (Human))	BDBM47566 (MLS000519937 | SMR000130352 | cid_4169684) Show SMILES O=C(NCc1cccnc1)c1cccn2c1nc1ccsc1c2=O Show InChI InChI=1S/C17H12N4O2S/c22-16(19-10-11-3-1-6-18-9-11)12-4-2-7-21-15(12)20-13-5-8-24-14(13)17(21)23/h1-9H,10H2,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184
					More data for this Ligand-Target Pair