BDBM50236141 CHEMBL4073645

SMILES: CCc1noc(C)c1-c1nn2c(nnc2s1)-c1cccs1

InChI Key: InChIKey=JOFRLEQHHMADOZ-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 = 50236141   

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))	BDBM50236141 (CHEMBL4073645) Show SMILES CCc1noc(C)c1-c1nn2c(nnc2s1)-c1cccs1 Show InChI InChI=1S/C13H11N5OS2/c1-3-8-10(7(2)19-17-8)12-16-18-11(9-5-4-6-20-9)14-15-13(18)21-12/h4-6H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand				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