BDBM50260239 CHEMBL4068934

SMILES: Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=TYFDJJNBSDHYLQ-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 = 50260239   

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))	BDBM50260239 (CHEMBL4068934) Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C24H23N3O3/c1-26-20(18-9-7-17(8-10-18)16-27-11-13-29-14-12-27)15-21-22(24(26)28)23(25-30-21)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				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