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BDBM17099 3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl}-4-{[(3-hydroxypropyl)(methyl)amino]methyl}thiophene-2-carboxamide::Thiophene-Anthranilamide, 10k

SMILES: COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl

InChI Key: InChIKey=JEQVXUZFFUSIEJ-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 17099   
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))
BDBM17099
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O4S/c1-30(6-3-7-31)11-13-12-35-21(19(13)26)23(33)29-20-16(8-15(25)9-17(20)34-2)22(32)28-18-5-4-14(24)10-27-18/h4-5,8-10,12,31H,3,6-7,11H2,1-2H3,(H,29,33)(H,27,28,32)
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Article
PubMed
0.180 -13.2n/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))
BDBM17099
PNG
(3-chloro-N-{4-chloro-2-[(5-chloropyridin-2-yl)carb...)
Show SMILES COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl
Show InChI InChI=1S/C23H23Cl3N4O4S/c1-30(6-3-7-31)11-13-12-35-21(19(13)26)23(33)29-20-16(8-15(25)9-17(20)34-2)22(32)28-18-5-4-14(24)10-27-18/h4-5,8-10,12,31H,3,6-7,11H2,1-2H3,(H,29,33)(H,27,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10E+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