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BDBM50073822 (4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-6-phenoxy-hexyl]-phosphinic acid::CHEMBL282466

SMILES: CNC(=O)[C@H](NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C

InChI Key: InChIKey=WNJWSNXIZOSCTK-RDFOUATCSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50073822   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50073822
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C34H45N2O5P/c1-34(2,3)31(33(38)35-4)36-32(37)29(15-11-12-22-41-30-16-9-6-10-17-30)25-42(39,40)24-28-20-18-27(19-21-28)23-26-13-7-5-8-14-26/h5-10,13-14,16-21,29,31H,11-12,15,22-25H2,1-4H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50073822
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCCCOc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C34H45N2O5P/c1-34(2,3)31(33(38)35-4)36-32(37)29(15-11-12-22-41-30-16-9-6-10-17-30)25-42(39,40)24-28-20-18-27(19-21-28)23-26-13-7-5-8-14-26/h5-10,13-14,16-21,29,31H,11-12,15,22-25H2,1-4H3,(H,35,38)(H,36,37)(H,39,40)/t29?,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair