BDBM50172828 CHEMBL194414::[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethyl]-[2-(2-tetrazol-1-yl-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-amine

SMILES: [O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12

InChI Key: InChIKey=FUBQFHITWDEUOJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50172828   

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
Prothrombin (Homo sapiens (Human))	BDBM50172828 (CHEMBL194414 | [2,2-Difluoro-2-(1-oxy-pyridin-2-yl...) Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12 Show InChI InChI=1S/C21H16F2N8O2/c22-21(23,17-7-3-4-10-31(17)32)12-25-20-19-16(8-9-24-20)33-18(27-19)11-14-5-1-2-6-15(14)30-13-26-28-29-30/h1-10,13H,11-12H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin				Bioorg Med Chem Lett 15: 4411-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.022 BindingDB Entry DOI: 10.7270/Q22Z153P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50172828 (CHEMBL194414 | [2,2-Difluoro-2-(1-oxy-pyridin-2-yl...) Show SMILES [O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12 Show InChI InChI=1S/C21H16F2N8O2/c22-21(23,17-7-3-4-10-31(17)32)12-25-20-19-16(8-9-24-20)33-18(27-19)11-14-5-1-2-6-15(14)30-13-26-28-29-30/h1-10,13H,11-12H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Coagulation factor Xa				Bioorg Med Chem Lett 15: 4411-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.022 BindingDB Entry DOI: 10.7270/Q22Z153P
					More data for this Ligand-Target Pair