BDBM50355929 CHEMBL1910399
SMILES: CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
InChI Key: InChIKey=KNNSIUWFWJYVRB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355929 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)) | BDBM50355929
(CHEMBL1910399)Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H34N4O4S/c1-25(2)15-26(23(32)34-25)11-6-12-30(16-26)17-9-13-29(14-10-17)22(31)20-18-7-4-5-8-19(18)35-21(20)28-24(33)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,27,28,33) | 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 | 15 | 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)) | BDBM50355929
(CHEMBL1910399)Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C26H34N4O4S/c1-25(2)15-26(23(32)34-25)11-6-12-30(16-26)17-9-13-29(14-10-17)22(31)20-18-7-4-5-8-19(18)35-21(20)28-24(33)27-3/h4-5,7-8,17H,6,9-16H2,1-3H3,(H2,27,28,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 95 | 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 | |