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PDB code 3KEC

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (167/167 = 100%)
(Homo sapiens (human))
BDBM50305828
PNG
(4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzam...)
Show SMILES COc1ccc(Cn2nnc(n2)-c2cccc(c2)C(=O)NCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32)
PDB
MMDB

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AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain


Bioorg Med Chem Lett 20: 576-80 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase

  (167/167 = 100%)
(Homo sapiens (human))
BDBM50305828
PNG
(4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzam...)
Show SMILES COc1ccc(Cn2nnc(n2)-c2cccc(c2)C(=O)NCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output