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BDBM50332471 3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperidin-1-yl)ethoxy)benzyl)propanoic acid hydroxyamide::CHEMBL1630101

SMILES: Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1

InChI Key: InChIKey=ARCRXGOGDAPKEY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332471   
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))
BDBM50332471
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE by fluorescent spectroscopy


Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50332471
PNG
(3-(6-Methyl-2-oxo-2H-chromen-3-yl)-2-(4-(2-(piperi...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccc(OCCN4CCCCC4)cc3)C(=O)NO)cc2c1
Show InChI InChI=1S/C27H32N2O5/c1-19-5-10-25-21(15-19)17-23(27(31)34-25)18-22(26(30)28-32)16-20-6-8-24(9-7-20)33-14-13-29-11-3-2-4-12-29/h5-10,15,17,22,32H,2-4,11-14,16,18H2,1H3,(H,28,30)
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 1.50E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TNF-alpha by fluorescent spectroscopy


Bioorg Med Chem 18: 8618-29 (2010)


Article DOI: 10.1016/j.bmc.2010.10.006
BindingDB Entry DOI: 10.7270/Q2NV9JHW
More data for this
Ligand-Target Pair