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BDBM459212 2-[1-[2-[[(3aR,6aS)-5-cyano-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy]-2-(2-methoxyphenyl)ethyl]-5-methyl-6-oxazol-2-yl-2,4-dioxo-thieno[2,3-d]pyrimid-3-yl]-2-methyl-propanoic acid::US10759812, Example 26

SMILES: COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C#N

InChI Key: InChIKey=WOGMHGVBRYDDPM-MDXNIIKZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 459212   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM459212
PNG
(2-[1-[2-[[(3aR,6aS)-5-cyano-5-hydroxy-2,3,3a,4,6,6...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C#N
Show InChI InChI=1S/C32H34N4O8S/c1-17-24-27(37)36(31(2,3)29(38)39)30(40)35(28(24)45-25(17)26-34-9-10-43-26)15-23(21-7-5-6-8-22(21)42-4)44-20-11-18-13-32(41,16-33)14-19(18)12-20/h5-10,18-20,23,41H,11-15H2,1-4H3,(H,38,39)/t18-,19+,20-,23?,32?
PDB
MMDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM459212
PNG
(2-[1-[2-[[(3aR,6aS)-5-cyano-5-hydroxy-2,3,3a,4,6,6...)
Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C#N
Show InChI InChI=1S/C32H34N4O8S/c1-17-24-27(37)36(31(2,3)29(38)39)30(40)35(28(24)45-25(17)26-34-9-10-43-26)15-23(21-7-5-6-8-22(21)42-4)44-20-11-18-13-32(41,16-33)14-19(18)12-20/h5-10,18-20,23,41H,11-15H2,1-4H3,(H,38,39)/t18-,19+,20-,23?,32?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.43n/an/an/an/an/an/a



Sunshine Lake Pharma Co., Ltd.

US Patent


Assay Description
a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...


US Patent US10759812 (2020)

More data for this
Ligand-Target Pair