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Compile Data Set for Download or QSAR

Found 3 hits of affinity data for UniProtKB/TrEMBL: Q46085   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase ColH


(Hathewaya histolytica)
BDBM50542711
PNG
(CHEMBL4640494)
Show SMILES CC(=O)c1ccc(NC(=O)CS)cc1
Show InChI InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...


J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase ColH


(Hathewaya histolytica)
BDBM50542698
PNG
(CHEMBL4636059)
Show SMILES CC(=O)c1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C12H11NO3S/c1-7(14)8-2-4-9(5-3-8)13-11(15)6-10(17)12(13)16/h2-5,10,17H,6H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...


J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
More data for this
Ligand-Target Pair
Collagenase ColH


(Hathewaya histolytica)
BDBM50542693
PNG
(CHEMBL4637937)
Show SMILES COc1ccc(cc1)N1C(=O)CC(S)C1=O
Show InChI InChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)12-10(13)6-9(16)11(12)14/h2-5,9,16H,6H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) - Helmholtz Centre for Infection Research (HZI)

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-...


J Med Chem 63: 8359-8368 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00584
More data for this
Ligand-Target Pair