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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50295487'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (human))
BDBM50295487
PNG
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1ccc(cc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-15-14(9-12)13-6-4-11(8-16(13)28-15)20-19(24)27-3/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair