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BDBM17271 3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[2-(dimethylamino)ethyl]sulfanyl}methyl)thiophene-2-carboxamide::thiophene-containing non-amidine inhibitor, 73

SMILES: CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl

InChI Key: InChIKey=STGQYQZIWLRALS-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17271   
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/antithrombin III


(Homo sapiens (human))
BDBM17271
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O2S2/c1-29(2)9-10-32-12-14-13-33-21(20(14)26)23(31)28-19-8-5-16(25)11-18(19)22(30)27-17-6-3-15(24)4-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,27,30)(H,28,31)
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Article
PubMed
2.70n/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))
BDBM17271
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O2S2/c1-29(2)9-10-32-12-14-13-33-21(20(14)26)23(31)28-19-8-5-16(25)11-18(19)22(30)27-17-6-3-15(24)4-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,27,30)(H,28,31)
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


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Article
PubMed
560n/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))
BDBM17271
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O2S2/c1-29(2)9-10-32-12-14-13-33-21(20(14)26)23(31)28-19-8-5-16(25)11-18(19)22(30)27-17-6-3-15(24)4-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(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