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BDBM32654 m-chlorobenzylamide, 3

SMILES: N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key: InChIKey=LJTKFVOSAVCILF-XSWBTSGESA-N

Data: 1 KI  1 ITC

PDB links: 1 PDB ID matches this monomer.

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 = 32654   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM32654
PNG
(m-chlorobenzylamide, 3)
Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C27H28ClN3O2/c28-22-14-7-9-19(17-22)18-30-26(32)23-15-8-16-31(23)27(33)25(29)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-14,17,23-25H,8,15-16,18,29H2,(H,30,32)/t23?,25-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
47 -9.99n/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)


Article DOI: 10.1016/j.jmb.2009.06.016
BindingDB Entry DOI: 10.7270/Q2RV0M1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 32654
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))
BDBM32654
JPEG
(m-chlorobenzylamide, 3)
GoogleScholar
PDB
PC cid
PC sid
PDB
-9.461.43-10.9n/a7.8025



Philipps University Marburg





J Mol Biol 391: 552-64 (2009)