BDBM50239518 CHEMBL4075978

SMILES: Cc1ncccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccc(F)cc1

InChI Key: InChIKey=BTLAJERFDZDUGX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50239518   

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))	BDBM50239518 (CHEMBL4075978) Show SMILES Cc1ncccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C22H23FN6O3S/c1-16-20(3-2-10-24-16)33(31,32)29-13-11-28(12-14-29)21-9-8-19(26-27-21)22(30)25-15-17-4-6-18(23)7-5-17/h2-10H,11-15H2,1H3,(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	36	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of human dCTPase 1				Bioorg Med Chem Lett 27: 3897-3904 (2017) Article DOI: 10.1016/j.bmcl.2017.06.038 BindingDB Entry DOI: 10.7270/Q23N25WK
					More data for this Ligand-Target Pair
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50239518 (CHEMBL4075978) Show SMILES Cc1ncccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C22H23FN6O3S/c1-16-20(3-2-10-24-16)33(31,32)29-13-11-28(12-14-29)21-9-8-19(26-27-21)22(30)25-15-17-4-6-18(23)7-5-17/h2-10H,11-15H2,1H3,(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	36	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