BDBM50260241 CHEMBL4080636

SMILES: Cn1c(nc2onc(-c3ccccc3Cl)c2c1=O)-c1ccc(CN2CCCC2)cc1

InChI Key: InChIKey=MPUWMYUKPMILEZ-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 = 50260241   

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))	BDBM50260241 (CHEMBL4080636) Show SMILES Cn1c(nc2onc(-c3ccccc3Cl)c2c1=O)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C23H21ClN4O2/c1-27-21(16-10-8-15(9-11-16)14-28-12-4-5-13-28)25-22-19(23(27)29)20(26-30-22)17-6-2-3-7-18(17)24/h2-3,6-11H,4-5,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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