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BDBM50429741 CHEMBL1165106

SMILES: Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1

InChI Key: InChIKey=LAIQRLYWSPLUFU-WEVVVXLNSA-N

Data: 3 IC50

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 3 hits for monomerid = 50429741   
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))
BDBM50429741
PNG
(CHEMBL1165106)
Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C16H15NO3/c1-11-2-6-13(7-3-11)17-16(20)9-5-12-4-8-14(18)15(19)10-12/h2-10,18-19H,1H3,(H,17,20)/b9-5+
PDB
MMDB

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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Nanjing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins


Bioorg Med Chem Lett 23: 1206-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.027
BindingDB Entry DOI: 10.7270/Q2H996JF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50429741
PNG
(CHEMBL1165106)
Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C16H15NO3/c1-11-2-6-13(7-3-11)17-16(20)9-5-12-4-8-14(18)15(19)10-12/h2-10,18-19H,1H3,(H,17,20)/b9-5+
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Article
PubMed
n/an/a 4.83E+3n/an/an/an/an/an/a



Nanjing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins


Bioorg Med Chem Lett 23: 1206-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.027
BindingDB Entry DOI: 10.7270/Q2H996JF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50429741
PNG
(CHEMBL1165106)
Show SMILES Cc1ccc(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C16H15NO3/c1-11-2-6-13(7-3-11)17-16(20)9-5-12-4-8-14(18)15(19)10-12/h2-10,18-19H,1H3,(H,17,20)/b9-5+
PDB
MMDB

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Nanjing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins


Bioorg Med Chem Lett 23: 1206-11 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.027
BindingDB Entry DOI: 10.7270/Q2H996JF
More data for this
Ligand-Target Pair