BDBM50511117 CHEMBL4557289
SMILES: COc1cc(cc2n(cc(C)c12)C1CC1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cncc(c1)C(O)=O
InChI Key: InChIKey=WDBNGXLHMZSUEI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50511117 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)) | BDBM50511117
(CHEMBL4557289)Show SMILES COc1cc(cc2n(cc(C)c12)C1CC1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Terns Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of ACC1 (unknown origin) |
J Med Chem 63: 5031-5073 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01701 |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase
(Homo sapiens (Human)) | BDBM50511117
(CHEMBL4557289)Show SMILES COc1cc(cc2n(cc(C)c12)C1CC1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cncc(c1)C(O)=O Show InChI InChI=1S/C33H31N3O6/c1-19-18-36(24-4-5-24)26-13-21(14-29(41-2)30(19)26)31(38)35-9-7-33(8-10-35)15-27(37)25-12-20(3-6-28(25)42-33)22-11-23(32(39)40)17-34-16-22/h3,6,11-14,16-18,24H,4-5,7-10,15H2,1-2H3,(H,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Terns Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of ACC2 (unknown origin) |
J Med Chem 63: 5031-5073 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01701 |
More data for this Ligand-Target Pair | |