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BDBM50060330 CHEMBL265335::{5-[4-(2-Carboxymethoxy-5-methoxy-benzyl)-5-methoxy-2-(3-phenyl-propoxy)-benzyl]-2-[4-{5-carboxymethoxy-2-methoxy-4-[2-methoxy-4-methyl-5-(3-phenyl-propoxy)-benzyl]-benzyl}-2-methoxy-5-(3-phenyl-propoxy)-benzyl]-4-methoxy-phenoxy}-acetic acid

SMILES: COc1ccc(OCC(O)=O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1

InChI Key: InChIKey=HVYCONZXZKVFSO-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50060330   
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))
BDBM50060330
PNG
(CHEMBL265335 | {5-[4-(2-Carboxymethoxy-5-methoxy-b...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C81H86O18/c1-53-34-70(89-3)58(41-69(53)94-31-17-26-54-20-11-8-12-21-54)36-65-44-73(92-6)61(48-77(65)98-51-80(84)85)38-64-43-72(91-5)60(47-76(64)96-33-19-28-56-24-15-10-16-25-56)39-66-45-74(93-7)62(49-78(66)99-52-81(86)87)37-63-42-71(90-4)59(46-75(63)95-32-18-27-55-22-13-9-14-23-55)35-57-40-67(88-2)29-30-68(57)97-50-79(82)83/h8-16,20-25,29-30,34,40-49H,17-19,26-28,31-33,35-39,50-52H2,1-7H3,(H,82,83)(H,84,85)(H,86,87)
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100n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50060330
PNG
(CHEMBL265335 | {5-[4-(2-Carboxymethoxy-5-methoxy-b...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C81H86O18/c1-53-34-70(89-3)58(41-69(53)94-31-17-26-54-20-11-8-12-21-54)36-65-44-73(92-6)61(48-77(65)98-51-80(84)85)38-64-43-72(91-5)60(47-76(64)96-33-19-28-56-24-15-10-16-25-56)39-66-45-74(93-7)62(49-78(66)99-52-81(86)87)37-63-42-71(90-4)59(46-75(63)95-32-18-27-55-22-13-9-14-23-55)35-57-40-67(88-2)29-30-68(57)97-50-79(82)83/h8-16,20-25,29-30,34,40-49H,17-19,26-28,31-33,35-39,50-52H2,1-7H3,(H,82,83)(H,84,85)(H,86,87)
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1.70E+3n/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
Cathepsin G


(Homo sapiens (Human))
BDBM50060330
PNG
(CHEMBL265335 | {5-[4-(2-Carboxymethoxy-5-methoxy-b...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCCCc3ccccc3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCCCc5ccccc5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C81H86O18/c1-53-34-70(89-3)58(41-69(53)94-31-17-26-54-20-11-8-12-21-54)36-65-44-73(92-6)61(48-77(65)98-51-80(84)85)38-64-43-72(91-5)60(47-76(64)96-33-19-28-56-24-15-10-16-25-56)39-66-45-74(93-7)62(49-78(66)99-52-81(86)87)37-63-42-71(90-4)59(46-75(63)95-32-18-27-55-22-13-9-14-23-55)35-57-40-67(88-2)29-30-68(57)97-50-79(82)83/h8-16,20-25,29-30,34,40-49H,17-19,26-28,31-33,35-39,50-52H2,1-7H3,(H,82,83)(H,84,85)(H,86,87)
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>1.50E+4n/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