BDBM50260221 CHEMBL4079708

SMILES: Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2C(=O)CCC2=O)cc1

InChI Key: InChIKey=WBCMSGQWIABSQZ-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 = 50260221   

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))	BDBM50260221 (CHEMBL4079708) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C24H19N3O4/c1-26-18(16-9-7-15(8-10-16)14-27-20(28)11-12-21(27)29)13-19-22(24(26)30)23(25-31-19)17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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