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BDBM14117 (2S)-N-[5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide::2-ketobenzothiazole 57

SMILES: [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1

InChI Key: InChIKey=GZUGRLHDTNRHQF-CPSIJMPNSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14117   
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
Trypsin


(Bos taurus (bovine))
BDBM14117
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-y...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N7O3S/c1-27-18(15-16-7-3-2-4-8-16)23(34)31-13-6-10-19(31)21(33)30-17(9-5-11-29-24(25)26)20(32)22-28-12-14-35-22/h2-4,7-8,12,14,17-19,27H,5-6,9-11,13,15H2,1H3,(H,30,33)(H4,25,26,29)/t17?,18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...


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))
BDBM14117
PNG
((2S)-N-[5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-y...)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N7O3S/c1-27-18(15-16-7-3-2-4-8-16)23(34)31-13-6-10-19(31)21(33)30-17(9-5-11-29-24(25)26)20(32)22-28-12-14-35-22/h2-4,7-8,12,14,17-19,27H,5-6,9-11,13,15H2,1H3,(H,30,33)(H4,25,26,29)/t17?,18-,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.10n/a 19n/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