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BDBM50189619 1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-prop-2-ynylamine::CHEMBL377369

SMILES: CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1

InChI Key: InChIKey=XVFLFMHZTBIKTC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189619   
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 1 (ACC1)


(Homo sapiens (Human))
BDBM50189619
PNG
(1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-pr...)
Show SMILES CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C19H16N2O2S/c1-14(20)7-12-18-13-21-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14H,20H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC1 expressed in HEK293 cells


J Med Chem 49: 3770-3 (2006)


Article DOI: 10.1021/jm060484v
BindingDB Entry DOI: 10.7270/Q2M61M20
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50189619
PNG
(1-methyl-3-[2-(4-phenoxy-phenoxy)-thiazol-5-yl]-pr...)
Show SMILES CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C19H16N2O2S/c1-14(20)7-12-18-13-21-19(24-18)23-17-10-8-16(9-11-17)22-15-5-3-2-4-6-15/h2-6,8-11,13-14H,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.42E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ACC2 expressed in baculovirus/sf9 system


J Med Chem 49: 3770-3 (2006)


Article DOI: 10.1021/jm060484v
BindingDB Entry DOI: 10.7270/Q2M61M20
More data for this
Ligand-Target Pair