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BDBM17263 3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-1,2,4-triazol-1-ylmethyl)thiophene-2-carboxamide::thiophene-containing non-amidine inhibitor, 65

SMILES: Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=AYGOWKYTIJMKLX-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17263   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM17263
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)27-20(30)16-7-14(23)3-6-17(16)28-21(31)19-18(24)12(9-32-19)8-29-11-25-10-26-29/h1-7,9-11H,8H2,(H,27,30)(H,28,31)
PDB
MMDB

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Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM17263
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)27-20(30)16-7-14(23)3-6-17(16)28-21(31)19-18(24)12(9-32-19)8-29-11-25-10-26-29/h1-7,9-11H,8H2,(H,27,30)(H,28,31)
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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM17263
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)27-20(30)16-7-14(23)3-6-17(16)28-21(31)19-18(24)12(9-32-19)8-29-11-25-10-26-29/h1-7,9-11H,8H2,(H,27,30)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex



Assay Description
The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...


Bioorg Med Chem 15: 2127-46 (2007)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2MS3R1T
More data for this
Ligand-Target Pair