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BDBM50279771 CHEMBL217744::[4-Benzyloxy-5-{5-benzyloxy-4-[5-benzyloxy-2-carboxymethoxy-4-(2-carboxymethoxy-5-hydroxy-benzyl)-benzyl]-2-carboxymethoxy-benzyl}-2-(2-benzyloxy-5-carboxymethoxy-4-hydroxymethyl-benzyl)-phenoxy]-acetic acid

SMILES: OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O

InChI Key: InChIKey=OISXGAIRGJIAOA-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50279771   
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))
BDBM50279771
PNG
(CHEMBL217744 | [4-Benzyloxy-5-{5-benzyloxy-4-[5-be...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C73H66O21/c74-36-58-35-67(89-40-49-19-11-4-12-20-49)57(34-68(58)94-45-73(84)85)26-56-30-63(88-39-48-17-9-3-10-18-48)53(33-66(56)93-44-72(82)83)25-55-29-62(87-38-47-15-7-2-8-16-47)52(32-65(55)92-43-71(80)81)24-54-28-61(86-37-46-13-5-1-6-14-46)51(31-64(54)91-42-70(78)79)23-50-27-59(75)21-22-60(50)90-41-69(76)77/h1-22,27-35,74-75H,23-26,36-45H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
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PC cid
PC sid
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130n/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))
BDBM50279771
PNG
(CHEMBL217744 | [4-Benzyloxy-5-{5-benzyloxy-4-[5-be...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C73H66O21/c74-36-58-35-67(89-40-49-19-11-4-12-20-49)57(34-68(58)94-45-73(84)85)26-56-30-63(88-39-48-17-9-3-10-18-48)53(33-66(56)93-44-72(82)83)25-55-29-62(87-38-47-15-7-2-8-16-47)52(32-65(55)92-43-71(80)81)24-54-28-61(86-37-46-13-5-1-6-14-46)51(31-64(54)91-42-70(78)79)23-50-27-59(75)21-22-60(50)90-41-69(76)77/h1-22,27-35,74-75H,23-26,36-45H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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750n/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))
BDBM50279771
PNG
(CHEMBL217744 | [4-Benzyloxy-5-{5-benzyloxy-4-[5-be...)
Show SMILES OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
Show InChI InChI=1S/C73H66O21/c74-36-58-35-67(89-40-49-19-11-4-12-20-49)57(34-68(58)94-45-73(84)85)26-56-30-63(88-39-48-17-9-3-10-18-48)53(33-66(56)93-44-72(82)83)25-55-29-62(87-38-47-15-7-2-8-16-47)52(32-65(55)92-43-71(80)81)24-54-28-61(86-37-46-13-5-1-6-14-46)51(31-64(54)91-42-70(78)79)23-50-27-59(75)21-22-60(50)90-41-69(76)77/h1-22,27-35,74-75H,23-26,36-45H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)
PDB
MMDB

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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