BDBM50355924 CHEMBL1910394
SMILES: CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2csc3ccccc23)C(=O)O1
InChI Key: InChIKey=DZKYSNWZKZCHOU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355924 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)) | BDBM50355924
(CHEMBL1910394)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2csc3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H30N2O3S/c1-23(2)15-24(22(28)29-23)10-5-11-26(16-24)17-8-12-25(13-9-17)21(27)19-14-30-20-7-4-3-6-18(19)20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3 | 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 | 880 | 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)) | BDBM50355924
(CHEMBL1910394)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2csc3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H30N2O3S/c1-23(2)15-24(22(28)29-23)10-5-11-26(16-24)17-8-12-25(13-9-17)21(27)19-14-30-20-7-4-3-6-18(19)20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3 | 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+5 | 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 | |
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