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BDBM50230499 (S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide::CHEMBL253033

SMILES: CC(C)CN[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO

InChI Key: InChIKey=NLCRRRBETNPQLX-FQEVSTJZSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230499   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50230499
PNG
((S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolylox...)
Show SMILES CC(C)CN[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H29N3O5S/c1-15(2)13-22-20(21(25)23-26)14-24(30(4,27)28)17-7-11-19(12-8-17)29-18-9-5-16(3)6-10-18/h5-12,15,20,22,26H,13-14H2,1-4H3,(H,23,25)/t20-/m0/s1
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50230499
PNG
((S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolylox...)
Show SMILES CC(C)CN[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H29N3O5S/c1-15(2)13-22-20(21(25)23-26)14-24(30(4,27)28)17-7-11-19(12-8-17)29-18-9-5-16(3)6-10-18/h5-12,15,20,22,26H,13-14H2,1-4H3,(H,23,25)/t20-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50230499
PNG
((S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolylox...)
Show SMILES CC(C)CN[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H29N3O5S/c1-15(2)13-22-20(21(25)23-26)14-24(30(4,27)28)17-7-11-19(12-8-17)29-18-9-5-16(3)6-10-18/h5-12,15,20,22,26H,13-14H2,1-4H3,(H,23,25)/t20-/m0/s1
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair