BDBM50189627 CHEMBL212460::N-{3-[4-(4-isopropoxyphenoxy)phenyl]-1-methylprop-2ynyl}-acetamide
SMILES: CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1
InChI Key: InChIKey=KQDZHDLHJAFDCZ-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 (Homo sapiens (Human)) | BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo Curated by ChEMBL | Assay Description Inhibition of full length recombinant C-terminal His-tagged human ACC2 expressed in baculovirus infected sf9 cells using acetyl-CoA as substrate afte... | Bioorg Med Chem 24: 5258-5269 (2016) Article DOI: 10.1016/j.bmc.2016.08.045 BindingDB Entry DOI: 10.7270/Q2S46TXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human)) | BDBM50189627 (CHEMBL212460 | N-{3-[4-(4-isopropoxyphenoxy)phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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 |