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BDBM50071264 (9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyclo[13.2.2]nonadeca-1(18),15(19),16-triene-9,13-dicarboxylic acid 9-hydroxyamide 13-methylamide::CHEMBL293003

SMILES: CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2

InChI Key: InChIKey=VCJOCQOXJUMEBE-HBMCJLEFSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50071264   
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))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast collagenase (MMP-1)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast matrilysin (MMP-7)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast gelatinase A (MMP-2)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50071264
PNG
((9S,10R,13S)-10-Isobutyl-11-oxo-2-oxa-12-aza-bicyc...)
Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2
Show InChI InChI=1S/C24H37N3O5/c1-16(2)14-20-19(23(29)27-31)8-6-4-5-7-13-32-18-11-9-17(10-12-18)15-21(24(30)25-3)26-22(20)28/h9-12,16,19-21,31H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)/t19-,20+,21-/m0/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of fibroblast stromelysin (MMP-3)


Bioorg Med Chem Lett 8: 2087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00396-5
BindingDB Entry DOI: 10.7270/Q2MW2G89
More data for this
Ligand-Target Pair