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BDBM29378 proline scaffold, 27

SMILES: COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=WTCCOEPVXDDRSU-PZJWPPBQSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 29378   
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))
BDBM29378
PNG
(proline scaffold, 27)
Show SMILES COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H29N3O3/c1-29-16-14-25-22(27)19-13-8-15-26(19)23(28)21(24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-21H,8,13-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+4 6.80E+3n/an/an/an/an/a



University of Kalmar



Assay Description
SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins wer...


J Med Chem 52: 2708-15 (2009)


Article DOI: 10.1021/jm8011849
BindingDB Entry DOI: 10.7270/Q2H130B7
More data for this
Ligand-Target Pair