BindingDB logo
myBDB logout

BDBM17272 3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-[(2-methoxyethoxy)methyl]thiophene-2-carboxamide::thiophene-containing non-amidine inhibitor, 74

SMILES: COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl

InChI Key: InChIKey=GAIANRODMUVKOQ-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17272   
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))
BDBM17272
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H19Cl3N2O4S/c1-30-8-9-31-11-13-12-32-20(19(13)25)22(29)27-18-7-4-15(24)10-17(18)21(28)26-16-5-2-14(23)3-6-16/h2-7,10,12H,8-9,11H2,1H3,(H,26,28)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/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))
BDBM17272
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H19Cl3N2O4S/c1-30-8-9-31-11-13-12-32-20(19(13)25)22(29)27-18-7-4-15(24)10-17(18)21(28)26-16-5-2-14(23)3-6-16/h2-7,10,12H,8-9,11H2,1H3,(H,26,28)(H,27,29)
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
Prothrombin


(Homo sapiens (Human))
BDBM17272
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H19Cl3N2O4S/c1-30-8-9-31-11-13-12-32-20(19(13)25)22(29)27-18-7-4-15(24)10-17(18)21(28)26-16-5-2-14(23)3-6-16/h2-7,10,12H,8-9,11H2,1H3,(H,26,28)(H,27,29)
PDB

UniProtKB/SwissProt

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