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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM11365'   
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))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair