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BDBM50166258 5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-methoxy-phenoxy)-phenyl]-pyrimidine-2,4,6-trione::CHEMBL195743

SMILES: COc1ccc(Oc2ccc(cc2)C2(N3CCN(CCO)CC3)C(=O)NC(=O)NC2=O)cc1

InChI Key: InChIKey=OCQPVQCJWDXDLQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50166258   
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))
BDBM50166258
PNG
(5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-met...)
Show SMILES COc1ccc(Oc2ccc(cc2)C2(N3CCN(CCO)CC3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C23H26N4O6/c1-32-17-6-8-19(9-7-17)33-18-4-2-16(3-5-18)23(20(29)24-22(31)25-21(23)30)27-12-10-26(11-13-27)14-15-28/h2-9,28H,10-15H2,1H3,(H2,24,25,29,30,31)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6n/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))
BDBM50166258
PNG
(5-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-5-[4-(4-met...)
Show SMILES COc1ccc(Oc2ccc(cc2)C2(N3CCN(CCO)CC3)C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C23H26N4O6/c1-32-17-6-8-19(9-7-17)33-18-4-2-16(3-5-18)23(20(29)24-22(31)25-21(23)30)27-12-10-26(11-13-27)14-15-28/h2-9,28H,10-15H2,1H3,(H2,24,25,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 9n/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