BDBM50236104 CHEMBL4087381

SMILES: Cc1ccc(cc1C)-c1nn2c(nnc2s1)-c1ccccn1

InChI Key: InChIKey=IICDTAUEPIGBPJ-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 = 50236104   

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))	BDBM50236104 (CHEMBL4087381) Show SMILES Cc1ccc(cc1C)-c1nn2c(nnc2s1)-c1ccccn1 Show InChI InChI=1S/C16H13N5S/c1-10-6-7-12(9-11(10)2)15-20-21-14(18-19-16(21)22-15)13-5-3-4-8-17-13/h3-9H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	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