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BDBM50166249 5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-iodo-phenyl)-piperazin-1-yl]-pyrimidine-2,4,6-trione::CHEMBL372914

SMILES: Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)c3ccc(I)cc3)C(=O)NC(=O)NC2=O)cc1

InChI Key: InChIKey=IJXPNMMIIHZGBN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50166249   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50166249
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-iodo-phenyl...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)c3ccc(I)cc3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C26H22BrIN4O4/c27-18-3-11-22(12-4-18)36-21-9-1-17(2-10-21)26(23(33)29-25(35)30-24(26)34)32-15-13-31(14-16-32)20-7-5-19(28)6-8-20/h1-12H,13-16H2,(H2,29,30,33,34,35)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 9


J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50166249
PNG
(5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(4-iodo-phenyl...)
Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)c3ccc(I)cc3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C26H22BrIN4O4/c27-18-3-11-22(12-4-18)36-21-9-1-17(2-10-21)26(23(33)29-25(35)30-24(26)34)32-15-13-31(14-16-32)20-7-5-19(28)6-8-20/h1-12H,13-16H2,(H2,29,30,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 86n/an/an/an/an/an/a



University Hospital of the Westf£lische Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
In vitro inhibition of human Matrix metalloprotease 2


J Med Chem 48: 3400-9 (2005)


Article DOI: 10.1021/jm049145x
BindingDB Entry DOI: 10.7270/Q2NS0VPR
More data for this
Ligand-Target Pair