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SMILES: OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1

InChI Key: InChIKey=IZRGHLXXFQNRMD-JOCHJYFZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50170205   
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))
BDBM50170205
PNG
((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...)
Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50170205
PNG
((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...)
Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1
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 14n/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