BDBM50260233 CHEMBL1492375

SMILES: Oc1ccnc(SCC(=O)N2CCOCC2)n1

InChI Key: InChIKey=BJBZLKJJYZCGMN-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 = 50260233   

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))	BDBM50260233 (CHEMBL1492375) Show SMILES Oc1ccnc(SCC(=O)N2CCOCC2)n1 Show InChI InChI=1S/C10H13N3O3S/c14-8-1-2-11-10(12-8)17-7-9(15)13-3-5-16-6-4-13/h1-2H,3-7H2,(H,11,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				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