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BDBM32652 m-chlorobenzylamide, 1

SMILES: CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key: InChIKey=OTYYXGRJXJFTCD-KWCCSABGSA-N

Data: 1 KI  1 ITC

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 1 hit for monomerid = 32652   
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))
BDBM32652
PNG
(m-chlorobenzylamide, 1)
Show SMILES CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80E+3 -7.04n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32652
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Thrombin

(Homo sapiens (Human))
BDBM32652
JPEG
(m-chlorobenzylamide, 1)
GoogleScholar
PDB
PC cid
PC sid
-7.480.527-8.00n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)