BDBM50439639 CHEMBL2419591::US8993586, 64
SMILES: CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(Cl)c4c3)NC(=O)c2n1
InChI Key: InChIKey=HJYPOOSQUPLKLU-UHFFFAOYSA-N
Data: 4 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)) | BDBM50439639 (CHEMBL2419591 | US8993586, 64) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Pfizer Inc. US Patent | Assay Description Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c... | US Patent US8993586 (2015) BindingDB Entry DOI: 10.7270/Q2N58K43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human)) | BDBM50439639 (CHEMBL2419591 | US8993586, 64) | 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 | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me... | J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human)) | BDBM50439639 (CHEMBL2419591 | US8993586, 64) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me... | J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human)) | BDBM50439639 (CHEMBL2419591 | US8993586, 64) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. US Patent | Assay Description Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC... | US Patent US8993586 (2015) BindingDB Entry DOI: 10.7270/Q2N58K43 | |||||||||||
More data for this Ligand-Target Pair |