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SMILES: CN(C)c1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C

InChI Key:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50546611   
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
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50546611
PNG
(CHEMBL4762472)
Show SMILES CN(C)c1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACC2 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00640
BindingDB Entry DOI: 10.7270/Q2RR22VT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50546611
PNG
(CHEMBL4762472)
Show SMILES CN(C)c1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACC1 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00640
BindingDB Entry DOI: 10.7270/Q2RR22VT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM50546611
PNG
(CHEMBL4762472)
Show SMILES CN(C)c1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACC1 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00640
BindingDB Entry DOI: 10.7270/Q2RR22VT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM50546611
PNG
(CHEMBL4762472)
Show SMILES CN(C)c1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ACC2 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00640
BindingDB Entry DOI: 10.7270/Q2RR22VT
More data for this
Ligand-Target Pair