BDBM50355926 CHEMBL1910396
SMILES: CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(N)sc3ccccc23)C(=O)O1
InChI Key: InChIKey=UMEWLRYFBAISSB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355926 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)) | BDBM50355926
(CHEMBL1910396)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(N)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31N3O3S/c1-23(2)14-24(22(29)30-23)10-5-11-27(15-24)16-8-12-26(13-9-16)21(28)19-17-6-3-4-7-18(17)31-20(19)25/h3-4,6-7,16H,5,8-15,25H2,1-2H3 | 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 | 750 | 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)) | BDBM50355926
(CHEMBL1910396)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(N)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31N3O3S/c1-23(2)14-24(22(29)30-23)10-5-11-27(15-24)16-8-12-26(13-9-16)21(28)19-17-6-3-4-7-18(17)31-20(19)25/h3-4,6-7,16H,5,8-15,25H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | 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 | |