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BDBM50105436 CHEMBL316293::N-[(S)-1-Hydroxycarbamoyl-2-(4-phenoxy-benzenesulfonyl)-ethyl]-2,6-dimethoxy-benzamide

SMILES: COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

InChI Key: InChIKey=MLONDWWDPWNWGR-LJQANCHMSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50105436   
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))
BDBM50105436
PNG
(CHEMBL316293 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.50E+5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 2719-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00556-x
BindingDB Entry DOI: 10.7270/Q2TD9WNW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50105436
PNG
(CHEMBL316293 | N-[(S)-1-Hydroxycarbamoyl-2-(4-phen...)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C24H24N2O8S/c1-32-20-9-6-10-21(33-2)22(20)24(28)25-19(23(27)26-29)15-35(30,31)18-13-11-17(12-14-18)34-16-7-4-3-5-8-16/h3-14,19,29H,15H2,1-2H3,(H,25,28)(H,26,27)/t19-/m1/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 2719-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00556-x
BindingDB Entry DOI: 10.7270/Q2TD9WNW
More data for this
Ligand-Target Pair