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Patent code US10208044

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM350113
PNG
(US10208044, Compound I-28)
Show SMILES COc1ccc(F)cc1[C@H](Cn1c2ccc(cc2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C29H30FN3O8/c1-29(2,27(35)36)33-26(34)20-14-17(25-31-10-13-40-25)4-6-22(20)32(28(33)37)16-24(41-19-8-11-39-12-9-19)21-15-18(30)5-7-23(21)38-3/h4-7,10,13-15,19,24H,8-9,11-12,16H2,1-3H3,(H,35,36)/t24-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+4n/an/an/an/an/an/a



GILEAD APOLLO, LLC

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10208044 (2019)


BindingDB Entry DOI: 10.7270/Q2QR5086
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM350131
PNG
(US10208044, Compound I-29)
Show SMILES COc1ccc(F)cc1[C@H](Cn1c2ccc(cc2c(=O)n(c1=O)C(C)(C)C(N)=O)-c1ncco1)OC1CCOCC1
Show InChI InChI=1S/C29H31FN4O7/c1-29(2,27(31)36)34-26(35)20-14-17(25-32-10-13-40-25)4-6-22(20)33(28(34)37)16-24(41-19-8-11-39-12-9-19)21-15-18(30)5-7-23(21)38-3/h4-7,10,13-15,19,24H,8-9,11-12,16H2,1-3H3,(H2,31,36)/t24-/m0/s1
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+4n/an/an/an/an/an/a



GILEAD APOLLO, LLC

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10208044 (2019)


BindingDB Entry DOI: 10.7270/Q2QR5086
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM350132
PNG
(US10208044, Compound I-30)
Show SMILES COc1ccc(F)cc1[C@H](Cn1c2ccc(Br)cc2c(=O)n(c1=O)C(C)(C)C(O)=O)OC1CCOCC1
Show InChI InChI=1S/C26H28BrFN2O7/c1-26(2,24(32)33)30-23(31)18-12-15(27)4-6-20(18)29(25(30)34)14-22(37-17-8-10-36-11-9-17)19-13-16(28)5-7-21(19)35-3/h4-7,12-13,17,22H,8-11,14H2,1-3H3,(H,32,33)/t22-/m0/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+4n/an/an/an/an/an/a



GILEAD APOLLO, LLC

US Patent


Assay Description
An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...


US Patent US10208044 (2019)


BindingDB Entry DOI: 10.7270/Q2QR5086
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%