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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50175557'   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50175557
PNG
(CHEMBL194570 | N-Hydroxy-2-[4-(pyridin-4-yloxy)-be...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C13H13N3O5S/c17-13(16-18)9-15-22(19,20)12-3-1-10(2-4-12)21-11-5-7-14-8-6-11/h1-8,15,18H,9H2,(H,16,17)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
8.20n/an/an/an/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards (MMP-1) matrix metalloproteinase-1


J Med Chem 48: 6585-96 (2005)


Article DOI: 10.1021/jm050196j
BindingDB Entry DOI: 10.7270/Q20K284B
More data for this
Ligand-Target Pair