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BDBM50279765 CHEMBL215405::{2-{4-[5-Carboxymethoxy-4-(5-cyclohexylmethoxy-2-methoxy-4-methyl-benzyl)-2-methoxy-benzyl]-5-cyclohexylmethoxy-2-methoxy-benzyl}-5-[4-(2-carboxymethoxy-5-methoxy-benzyl)-2-cyclohexylmethoxy-5-methoxy-benzyl]-4-methoxy-phenoxy}-acetic acid

SMILES: COc1ccc(OCC(O)=O)c(Cc2cc(OCC3CCCCC3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCC5CCCCC5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCC7CCCCC7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1

InChI Key: InChIKey=PEBLIJQBRLIYCA-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50279765   
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))
BDBM50279765
PNG
(CHEMBL215405 | {2-{4-[5-Carboxymethoxy-4-(5-cycloh...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCC3CCCCC3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCC5CCCCC5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCC7CCCCC7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C75H92O18/c1-47-25-64(83-3)52(32-63(47)88-41-48-17-11-8-12-18-48)27-59-35-67(86-6)55(39-71(59)92-45-74(78)79)29-58-34-66(85-5)54(38-70(58)90-43-50-21-15-10-16-22-50)30-60-36-68(87-7)56(40-72(60)93-46-75(80)81)28-57-33-65(84-4)53(37-69(57)89-42-49-19-13-9-14-20-49)26-51-31-61(82-2)23-24-62(51)91-44-73(76)77/h23-25,31-40,48-50H,8-22,26-30,41-46H2,1-7H3,(H,76,77)(H,78,79)(H,80,81)
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PC cid
PC sid
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20n/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))
BDBM50279765
PNG
(CHEMBL215405 | {2-{4-[5-Carboxymethoxy-4-(5-cycloh...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCC3CCCCC3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCC5CCCCC5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCC7CCCCC7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C75H92O18/c1-47-25-64(83-3)52(32-63(47)88-41-48-17-11-8-12-18-48)27-59-35-67(86-6)55(39-71(59)92-45-74(78)79)29-58-34-66(85-5)54(38-70(58)90-43-50-21-15-10-16-22-50)30-60-36-68(87-7)56(40-72(60)93-46-75(80)81)28-57-33-65(84-4)53(37-69(57)89-42-49-19-13-9-14-20-49)26-51-31-61(82-2)23-24-62(51)91-44-73(76)77/h23-25,31-40,48-50H,8-22,26-30,41-46H2,1-7H3,(H,76,77)(H,78,79)(H,80,81)
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antibodypedia
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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 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))
BDBM50279765
PNG
(CHEMBL215405 | {2-{4-[5-Carboxymethoxy-4-(5-cycloh...)
Show SMILES COc1ccc(OCC(O)=O)c(Cc2cc(OCC3CCCCC3)c(Cc3cc(OCC(O)=O)c(Cc4cc(OCC5CCCCC5)c(Cc5cc(OCC(O)=O)c(Cc6cc(OCC7CCCCC7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
Show InChI InChI=1S/C75H92O18/c1-47-25-64(83-3)52(32-63(47)88-41-48-17-11-8-12-18-48)27-59-35-67(86-6)55(39-71(59)92-45-74(78)79)29-58-34-66(85-5)54(38-70(58)90-43-50-21-15-10-16-22-50)30-60-36-68(87-7)56(40-72(60)93-46-75(80)81)28-57-33-65(84-4)53(37-69(57)89-42-49-19-13-9-14-20-49)26-51-31-61(82-2)23-24-62(51)91-44-73(76)77/h23-25,31-40,48-50H,8-22,26-30,41-46H2,1-7H3,(H,76,77)(H,78,79)(H,80,81)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>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