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BDBM50253934 2-Benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylamino}-3-oxopropanoic acid::CHEMBL517551

SMILES: CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12

InChI Key: InChIKey=CLBIPVQEMSMMJN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50253934   
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))
BDBM50253934
PNG
(2-Benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4...)
Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12
Show InChI InChI=1S/C28H30N4O5/c1-28(17-36-21-11-8-19(9-12-21)25(29)30)16-32(2)23-13-10-20(15-24(23)37-28)31-26(33)22(27(34)35)14-18-6-4-3-5-7-18/h3-13,15,22H,14,16-17H2,1-2H3,(H3,29,30)(H,31,33)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin)


J Med Chem 51: 5617-29 (2008)


Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ
More data for this
Ligand-Target Pair