BDBM50236119 CHEMBL4102265

SMILES: Cc1cc(-c2nn3c(nnc3s2)-c2ccccn2)c2ccccc2n1

InChI Key: InChIKey=SRLYFJCZRCLSBJ-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 = 50236119   

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
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50236119 (CHEMBL4102265) Show SMILES Cc1cc(-c2nn3c(nnc3s2)-c2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C18H12N6S/c1-11-10-13(12-6-2-3-7-14(12)20-11)17-23-24-16(21-22-18(24)25-17)15-8-4-5-9-19-15/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged dCTPase 1 expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by ma...				J Med Chem 60: 2148-2154 (2017) Article DOI: 10.1021/acs.jmedchem.6b01786 BindingDB Entry DOI: 10.7270/Q2BR8VGZ
					More data for this Ligand-Target Pair