BDBM50111964 1-(4-Amino-quinazolin-7-ylmethyl)-4-(1H-benzoimidazol-2-ylmethyl)-piperazin-2-one::CHEMBL170093

SMILES: Nc1ncnc2cc(CN3CCN(Cc4nc5ccccc5[nH]4)CC3=O)ccc12

InChI Key: InChIKey=UXMSIRHWNBNVRZ-UHFFFAOYSA-N

Data: 1 KI

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 = 50111964   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50111964 (1-(4-Amino-quinazolin-7-ylmethyl)-4-(1H-benzoimida...) Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccccc5[nH]4)CC3=O)ccc12 Show InChI InChI=1S/C21H21N7O/c22-21-15-6-5-14(9-18(15)23-13-24-21)10-28-8-7-27(12-20(28)29)11-19-25-16-3-1-2-4-17(16)26-19/h1-6,9,13H,7-8,10-12H2,(H,25,26)(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Coagulation factor Xa				Bioorg Med Chem Lett 12: 919-22 (2002) BindingDB Entry DOI: 10.7270/Q28C9VJT
					More data for this Ligand-Target Pair