BDBM50093320 3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-N-morpholin-4-yl-benzamidine::CHEMBL336394

SMILES: CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=NN1CCOCC1

InChI Key: InChIKey=BUTHBIKCCABUOZ-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 = 50093320   

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))	BDBM50093320 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=NN1CCOCC1 |w:32.36| Show InChI InChI=1S/C31H43N5O3/c1-23-10-8-11-24(2)35(23)16-6-3-7-17-36-27-14-4-5-15-28(27)39-29(31(36)37)25-12-9-13-26(22-25)30(32)33-34-18-20-38-21-19-34/h4-5,9,12-15,22-24,29H,3,6-8,10-11,16-21H2,1-2H3,(H2,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair