BDBM50355921 CHEMBL1910391
SMILES: CCN1CCCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
InChI Key: InChIKey=SUJPLSLDZHKORQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355921 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 2 (ACC2)
(Homo sapiens (Human)) | BDBM50355921
(CHEMBL1910391)Show SMILES CCN1CCCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O Show InChI InChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description Inhibition of human ACC2 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 1 (ACC1)
(Homo sapiens (Human)) | BDBM50355921
(CHEMBL1910391)Show SMILES CCN1CCCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O Show InChI InChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd
Curated by ChEMBL
| Assay Description Inhibition of human ACC1 |
Bioorg Med Chem Lett 21: 6314-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P |
More data for this Ligand-Target Pair | |