BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1

InChI Key: InChIKey=BMSDLUUZGPIUGG-INIZCTEOSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50230517   
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))
BDBM50230517
PNG
((S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)metha...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

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))
BDBM50230517
PNG
((S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)metha...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50230517
PNG
((S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)metha...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain MMP9


Bioorg Med Chem Lett 18: 1135-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.119
BindingDB Entry DOI: 10.7270/Q23X87HH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50230517
PNG
((S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)metha...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2


Bioorg Med Chem Lett 18: 1135-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.119
BindingDB Entry DOI: 10.7270/Q23X87HH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50230517
PNG
((S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)metha...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain MMP1


Bioorg Med Chem Lett 18: 1135-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.119
BindingDB Entry DOI: 10.7270/Q23X87HH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50230517
PNG
((S)-N,2-dihydroxy-3-(N-(4-(p-tolyloxy)phenyl)metha...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](O)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O6S/c1-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)19(26(2,23)24)11-16(20)17(21)18-22/h3-10,16,20,22H,11H2,1-2H3,(H,18,21)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

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