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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50307839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50307839
PNG
((S)-1-butyryl-N-(3-chlorobenzyl)pyrrolidine-2-carb...)
Show SMILES CCCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C16H21ClN2O2/c1-2-5-15(20)19-9-4-8-14(19)16(21)18-11-12-6-3-7-13(17)10-12/h3,6-7,10,14H,2,4-5,8-9,11H2,1H3,(H,18,21)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.22E+5n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Binding affinity to human thrombin by standard kinetic photometric assay


J Med Chem 53: 2126-35 (2010)


Article DOI: 10.1021/jm9016416
BindingDB Entry DOI: 10.7270/Q2VT1S7P
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50307839
PNG
((S)-1-butyryl-N-(3-chlorobenzyl)pyrrolidine-2-carb...)
Show SMILES CCCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C16H21ClN2O2/c1-2-5-15(20)19-9-4-8-14(19)16(21)18-11-12-6-3-7-13(17)10-12/h3,6-7,10,14H,2,4-5,8-9,11H2,1H3,(H,18,21)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+5n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin using tPa (CH3SO2-D-Cha-Gly-Arg-pNA.AcOH) as chromogenic substrate by kinetic photometric assay


Eur J Med Chem 96: 405-24 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.059
BindingDB Entry DOI: 10.7270/Q2474CMD
More data for this
Ligand-Target Pair