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BDBM50279766 CHEMBL213783::{2-{5-Benzyloxy-4-[4-(5-benzyloxy-4-hydroxymethyl-2-methoxy-benzyl)-5-carboxymethoxy-2-methoxy-benzyl]-2-methoxy-benzyl}-5-[2-benzyloxy-4-(2-carboxymethoxy-5-hydroxy-benzyl)-5-methoxy-benzyl]-4-methoxy-phenoxy}-acetic acid

SMILES: COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O

InChI Key: InChIKey=PLRUYADVNZHFAE-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50279766   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50279766
PNG
(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Show SMILES COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O
Show InChI InChI=1S/C74H72O19/c1-83-62-29-55(67(88-40-46-15-9-6-10-16-46)33-50(62)23-49-28-60(76)21-22-61(49)91-43-72(77)78)24-52-35-69(92-44-73(79)80)57(31-64(52)85-3)26-51-34-68(89-41-47-17-11-7-12-18-47)56(30-63(51)84-2)25-53-36-70(93-45-74(81)82)58(32-65(53)86-4)27-54-37-71(59(39-75)38-66(54)87-5)90-42-48-19-13-8-14-20-48/h6-22,28-38,75-76H,23-27,39-45H2,1-5H3,(H,77,78)(H,79,80)(H,81,82)
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MMDB

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200n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50279766
PNG
(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Show SMILES COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O
Show InChI InChI=1S/C74H72O19/c1-83-62-29-55(67(88-40-46-15-9-6-10-16-46)33-50(62)23-49-28-60(76)21-22-61(49)91-43-72(77)78)24-52-35-69(92-44-73(79)80)57(31-64(52)85-3)26-51-34-68(89-41-47-17-11-7-12-18-47)56(30-63(51)84-2)25-53-36-70(93-45-74(81)82)58(32-65(53)86-4)27-54-37-71(59(39-75)38-66(54)87-5)90-42-48-19-13-8-14-20-48/h6-22,28-38,75-76H,23-27,39-45H2,1-5H3,(H,77,78)(H,79,80)(H,81,82)
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1.50E+3n/an/an/an/an/an/a7.5n/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of cathepsin G at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Suc-Ala-Ala-Pro-Phe-pNA.


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50279766
PNG
(CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...)
Show SMILES COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O
Show InChI InChI=1S/C74H72O19/c1-83-62-29-55(67(88-40-46-15-9-6-10-16-46)33-50(62)23-49-28-60(76)21-22-61(49)91-43-72(77)78)24-52-35-69(92-44-73(79)80)57(31-64(52)85-3)26-51-34-68(89-41-47-17-11-7-12-18-47)56(30-63(51)84-2)25-53-36-70(93-45-74(81)82)58(32-65(53)86-4)27-54-37-71(59(39-75)38-66(54)87-5)90-42-48-19-13-8-14-20-48/h6-22,28-38,75-76H,23-27,39-45H2,1-5H3,(H,77,78)(H,79,80)(H,81,82)
PDB

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antibodypedia
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PC cid
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UniChem
Article
PubMed
>1.50E+4n/an/an/an/an/an/a7.5n/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of thrombin at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Bz-Phe-Val-Arg-pNA.


J Med Chem 40: 3408-22 (1997)


Article DOI: 10.1021/jm970251r
More data for this
Ligand-Target Pair