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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 14092   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14092
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(3-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(18-20-9-3-2-4-10-20)32(41)38-16-8-14-26(38)30(40)36-24(19-21-11-7-12-22(17-21)29(33)34)28(39)31-37-23-13-5-6-15-27(23)42-31/h2-7,9-13,15,17,24-26,35H,8,14,16,18-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25+,26-/m0/s1
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Similars

Article
PubMed
0.990n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a...


J Med Chem 48: 1984-2008 (2005)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2X0658X
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14092
PNG
((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(3-carbam...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C32H34N6O3S/c1-35-25(18-20-9-3-2-4-10-20)32(41)38-16-8-14-26(38)30(40)36-24(19-21-11-7-12-22(17-21)29(33)34)28(39)31-37-23-13-5-6-15-27(23)42-31/h2-7,9-13,15,17,24-26,35H,8,14,16,18-19H2,1H3,(H3,33,34)(H,36,40)/t24-,25+,26-/m0/s1
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human alpha-thrombin


Bioorg Med Chem 16: 1562-95 (2008)


Article DOI: 10.1016/j.bmc.2007.11.015
BindingDB Entry DOI: 10.7270/Q21J9BNH
More data for this
Ligand-Target Pair