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BDBM50337486 3-(5-chloro-2-(2-oxo-2-(piperidin-3-ylamino)ethoxy)phenethoxy)-N,N-diisobutyl-5-methylbenzamide::CHEMBL1682774

SMILES: CC(C)CN(CC(C)C)C(=O)c1cc(C)cc(OCCc2cc(Cl)ccc2OCC(=O)NC2CCCNC2)c1

InChI Key: InChIKey=YSVQVPYNHZXRGR-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337486   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50337486
PNG
(3-(5-chloro-2-(2-oxo-2-(piperidin-3-ylamino)ethoxy...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1cc(C)cc(OCCc2cc(Cl)ccc2OCC(=O)NC2CCCNC2)c1
Show InChI InChI=1S/C31H44ClN3O4/c1-21(2)18-35(19-22(3)4)31(37)25-13-23(5)14-28(16-25)38-12-10-24-15-26(32)8-9-29(24)39-20-30(36)34-27-7-6-11-33-17-27/h8-9,13-16,21-22,27,33H,6-7,10-12,17-20H2,1-5H3,(H,34,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin

Bioorg Med Chem Lett 21: 1536-40 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.105
BindingDB Entry DOI: 10.7270/Q2V1252F
More data for this
Ligand-Target Pair