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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50071838'   
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))
BDBM50071838
PNG
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C18H27N3O7S/c1-18(2,3)28-17(23)20-10-5-11-21(15(12-20)16(22)19-24)29(25,26)14-8-6-13(27-4)7-9-14/h6-9,15,24H,5,10-12H2,1-4H3,(H,19,22)
PDB
MMDB

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PC cid
PC sid
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Similars

n/an/a 618n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50071838
PNG
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C18H27N3O7S/c1-18(2,3)28-17(23)20-10-5-11-21(15(12-20)16(22)19-24)29(25,26)14-8-6-13(27-4)7-9-14/h6-9,15,24H,5,10-12H2,1-4H3,(H,19,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 618n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 8: 2657-62 (1999)


BindingDB Entry DOI: 10.7270/Q28K79KZ
More data for this
Ligand-Target Pair