BDBM50093307 4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-thiobenzamide::CHEMBL131876

SMILES: CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(N)=S

InChI Key: InChIKey=SDOFBTJUFAJAEL-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 = 50093307   

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))	BDBM50093307 (4-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C27H35N3O2S/c1-19-9-8-10-20(2)29(19)17-6-3-7-18-30-23-11-4-5-12-24(23)32-25(27(30)31)21-13-15-22(16-14-21)26(28)33/h4-5,11-16,19-20,25H,3,6-10,17-18H2,1-2H3,(H2,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40E+4	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