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BDBM50313841 (R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione::CHEMBL1089042

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(F)cc3)C(=O)c2c1

InChI Key: InChIKey=YMUVKSFBWOSBKG-IBGZPJMESA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50313841   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50313841
PNG
((R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindol...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(F)cc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C19H16FN3O4/c1-27-14-7-2-11-9-23(16(24)15(11)8-14)10-19(17(25)21-18(26)22-19)12-3-5-13(20)6-4-12/h2-8H,9-10H2,1H3,(H2,21,22,25,26)/t19-/m0/s1
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MMDB

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Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage


Bioorg Med Chem Lett 20: 5286-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.134
BindingDB Entry DOI: 10.7270/Q26W9B8K
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50313841
PNG
((R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindol...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(F)cc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C19H16FN3O4/c1-27-14-7-2-11-9-23(16(24)15(11)8-14)10-19(17(25)21-18(26)22-19)12-3-5-13(20)6-4-12/h2-8H,9-10H2,1H3,(H2,21,22,25,26)/t19-/m0/s1
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
0.800n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair