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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 118220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldehyde dehydrogenase, mitochondrial


(Homo sapiens (Human))
BDBM118220
PNG
(US8673966, N-(4-(7-((1-(3,3-difluorocyclobutanecar...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
Show InChI InChI=1S/C26H22F2N2O5S/c1-36(33,34)29-20-7-5-18(6-8-20)22-15-35-23-10-16(4-9-21(23)24(22)31)2-3-17-13-30(14-17)25(32)19-11-26(27,28)12-19/h4-10,15,17,19,29H,11-14H2,1H3
PDB
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM118220
PNG
(US8673966, N-(4-(7-((1-(3,3-difluorocyclobutanecar...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
Show InChI InChI=1S/C26H22F2N2O5S/c1-36(33,34)29-20-7-5-18(6-8-20)22-15-35-23-10-16(4-9-21(23)24(22)31)2-3-17-13-30(14-17)25(32)19-11-26(27,28)12-19/h4-10,15,17,19,29H,11-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.30E+5n/an/an/an/a7.5n/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM118220
PNG
(US8673966, N-(4-(7-((1-(3,3-difluorocyclobutanecar...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
Show InChI InChI=1S/C26H22F2N2O5S/c1-36(33,34)29-20-7-5-18(6-8-20)22-15-35-23-10-16(4-9-21(23)24(22)31)2-3-17-13-30(14-17)25(32)19-11-26(27,28)12-19/h4-10,15,17,19,29H,11-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.30E+5n/an/an/an/a7.5n/a



Gilead Sciences, Inc.

US Patent


Assay Description
MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reacti...


US Patent US8673966 (2014)


BindingDB Entry DOI: 10.7270/Q2QZ28MX
More data for this
Ligand-Target Pair