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BDBM50292186 CHEMBL197464::N-[2-((R)-1-Amino-ethyl)-5-chloro-benzyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-1-oxy-pyridin-2-yl]-acetamide

SMILES: C[C@@H](N)c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]

InChI Key: InChIKey=RZXZUAALRUDJDI-CQSZACIVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292186   
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))		BDBM50292186
PNG
(CHEMBL197464 | N-[2-((R)-1-Amino-ethyl)-5-chloro-b...)
Show SMILES C[C@@H](N)c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Show InChI InChI=1S/C23H23Cl2F2N5O2/c1-14(28)17-6-5-16(24)10-15(17)12-30-22(33)11-19-18(25)7-8-21(32(19)34)31-13-23(26,27)20-4-2-3-9-29-20/h2-10,14,31H,11-13,28H2,1H3,(H,30,33)/t14-/m1/s1
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Similars
Article
PubMed
 0.450n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma

Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair