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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50170201   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50170201
PNG
(4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...)
Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)
PDB
MMDB

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate


Bioorg Med Chem Lett 15: 3787-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50170201
PNG
(4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic a...)
Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C22H23N3O2S/c26-22(24-9-10-25-11-13-27-14-12-25)21-15-20(16-28-21)18-3-1-17(2-4-18)19-5-7-23-8-6-19/h1-8,15-16H,9-14H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-12


Bioorg Med Chem Lett 15: 3787-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM
More data for this
Ligand-Target Pair