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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50187402'   
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))
BDBM50187402
PNG
(CHEMBL3827566)
Show SMILES CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Bioorg Med Chem 24: 4291-4309 (2016)


Article DOI: 10.1016/j.bmc.2016.07.023
BindingDB Entry DOI: 10.7270/Q2S46TW0
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50187402
PNG
(CHEMBL3827566)
Show SMILES CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 by colorimetric analysis


Bioorg Med Chem 24: 4291-4309 (2016)


Article DOI: 10.1016/j.bmc.2016.07.023
BindingDB Entry DOI: 10.7270/Q2S46TW0
More data for this
Ligand-Target Pair