BDBM50260218 CHEMBL4077916

SMILES: CCCCc1nn2c(ncc(NC(=O)c3ccccc3Cl)c2=O)s1

InChI Key: InChIKey=USXIVPXLXCTUOJ-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 = 50260218   

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))	BDBM50260218 (CHEMBL4077916) Show SMILES CCCCc1nn2c(ncc(NC(=O)c3ccccc3Cl)c2=O)s1 Show InChI InChI=1S/C16H15ClN4O2S/c1-2-3-8-13-20-21-15(23)12(9-18-16(21)24-13)19-14(22)10-6-4-5-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
					More data for this Ligand-Target Pair