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BDBM50170203 (4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic acid 4-methyl-benzyl ester::CHEMBL179177

SMILES: Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1

InChI Key: InChIKey=LYWORXBHRXQZHC-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50170203   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50170203
PNG
((4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic ac...)
Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H21NO3S/c1-18-7-9-19(10-8-18)16-30-26(29)27-25(28)24-15-23(17-31-24)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50170203
PNG
((4-Biphenyl-4-yl-thiophene-2-carbonyl)-carbamic ac...)
Show SMILES Cc1ccc(COC(=O)NC(=O)c2cc(cs2)-c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H21NO3S/c1-18-7-9-19(10-8-18)16-30-26(29)27-25(28)24-15-23(17-31-24)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 70n/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