BDBM50202704 CHEMBL392598::N-(4-(2-(4-phenoxyphenoxy)thiazol-5-yl)but-3-yn-2-yl)isoxazol-3-amine
SMILES: CC(Nc1ccon1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
InChI Key: InChIKey=HLHOLNINVDTNAJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50202704 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Acetyl-CoA carboxylase 1 (ACC1)
(Homo sapiens (Human)) | BDBM50202704
(CHEMBL392598 | N-(4-(2-(4-phenoxyphenoxy)thiazol-5...)Show SMILES CC(Nc1ccon1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0| Show InChI InChI=1S/C22H17N3O3S/c1-16(24-21-13-14-26-25-21)7-12-20-15-23-22(29-20)28-19-10-8-18(9-11-19)27-17-5-3-2-4-6-17/h2-6,8-11,13-16H,1H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ACC1 |
Bioorg Med Chem Lett 17: 1803-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.047
BindingDB Entry DOI: 10.7270/Q28C9VXR |
More data for this
Ligand-Target Pair | |
Acetyl-CoA carboxylase 2 (ACC2)
(Homo sapiens (Human)) | BDBM50202704
(CHEMBL392598 | N-(4-(2-(4-phenoxyphenoxy)thiazol-5...)Show SMILES CC(Nc1ccon1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0| Show InChI InChI=1S/C22H17N3O3S/c1-16(24-21-13-14-26-25-21)7-12-20-15-23-22(29-20)28-19-10-8-18(9-11-19)27-17-5-3-2-4-6-17/h2-6,8-11,13-16H,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of ACC2 |
Bioorg Med Chem Lett 17: 1803-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.047
BindingDB Entry DOI: 10.7270/Q28C9VXR |
More data for this
Ligand-Target Pair | |
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