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BDBM50130106 4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid benzyl ester::CHEMBL307057

SMILES: COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO

InChI Key: InChIKey=GDYDGGBDRIVFOF-MUUNZHRXSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50130106   
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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50130106
PNG
(4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50130106
PNG
(4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP-8


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50130106
PNG
(4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C35H42N4O10S/c1-23-18-30(46-4)24(2)25(3)33(23)50(44,45)39(20-27-10-12-29-31(19-27)49-22-48-29)28(34(41)36-43)11-13-32(40)37-14-16-38(17-15-37)35(42)47-21-26-8-6-5-7-9-26/h5-10,12,18-19,28,43H,11,13-17,20-22H2,1-4H3,(H,36,41)/t28-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair