BDBM50111961 1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-methyl-1H-benzoimidazol-2-ylmethyl)-piperazin-2-one::CHEMBL174409

SMILES: Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc12

InChI Key: InChIKey=IGIWBKNHJHMYIS-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 = 50111961   

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))	BDBM50111961 (1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-me...) Show SMILES Cn1c(CN2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)nc2ccc(Cl)cc12 Show InChI InChI=1S/C22H22ClN7O/c1-28-19-9-15(23)3-5-17(19)27-20(28)11-29-6-7-30(21(31)12-29)10-14-2-4-16-18(8-14)25-13-26-22(16)24/h2-5,8-9,13H,6-7,10-12H2,1H3,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	290	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