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BDBM50418819 CHEMBL1796286

SMILES: CN(C)CCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1

InChI Key: InChIKey=IJNJIIUAAAJNQQ-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50418819   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50418819
PNG
(CHEMBL1796286)
Show SMILES CN(C)CCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H24N2O2/c1-15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)19(22)20-13-4-14-21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.98E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate


Bioorg Med Chem Lett 21: 4215-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.075
BindingDB Entry DOI: 10.7270/Q2WH2R89
More data for this
Ligand-Target Pair