BDBM50239517 CHEMBL4082508

SMILES: Fc1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)S(=O)(=O)c2cccnc2Cl)cc1

InChI Key: InChIKey=SYXPBLGEZYNKCZ-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 = 50239517   

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))	BDBM50239517 (CHEMBL4082508) Show SMILES Fc1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)S(=O)(=O)c2cccnc2Cl)cc1 Show InChI InChI=1S/C21H20ClFN6O3S/c22-20-18(2-1-9-24-20)33(31,32)29-12-10-28(11-13-29)19-8-7-17(26-27-19)21(30)25-14-15-3-5-16(23)6-4-15/h1-9H,10-14H2,(H,25,30)	PDB MMDB 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
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...				J Med Chem 60: 4279-4292 (2017) Article DOI: 10.1021/acs.jmedchem.7b00182 BindingDB Entry DOI: 10.7270/Q22N54F5
					More data for this Ligand-Target Pair