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BDBM17087 3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]-6-methoxyphenyl}-4-[(4-methylpiperazin-1-yl)methyl]thiophene-2-carboxamide::Thiophene-Anthranilamide, 3b

SMILES: COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl

InChI Key: InChIKey=CFYDJHKIUFGPDT-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 17087   
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))
BDBM17087
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N4O3S/c1-31-7-9-32(10-8-31)13-15-14-36-23(21(15)28)25(34)30-22-19(11-17(27)12-20(22)35-2)24(33)29-18-5-3-16(26)4-6-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)
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MMDB

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Article
PubMed
0.430 -12.6n/an/an/an/an/a7.522



Berlex Biosciences



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...


J Med Chem 50: 2967-80 (2007)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2J101F5
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM17087
PNG
(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
Show InChI InChI=1S/C25H25Cl3N4O3S/c1-31-7-9-32(10-8-31)13-15-14-36-23(21(15)28)25(34)30-22-19(11-17(27)12-20(22)35-2)24(33)29-18-5-3-16(26)4-6-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences



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...


J Med Chem 50: 2967-80 (2007)


Article DOI: 10.1021/jm070125f
BindingDB Entry DOI: 10.7270/Q2J101F5
More data for this
Ligand-Target Pair