BDBM50355928 CHEMBL1910398
SMILES: CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1
InChI Key: InChIKey=SJPYDPLSWLTOHX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355928 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)) | BDBM50355928
(CHEMBL1910398)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C25H32N4O4S/c1-24(2)14-25(22(31)33-24)10-5-11-29(15-25)16-8-12-28(13-9-16)21(30)19-17-6-3-4-7-18(17)34-20(19)27-23(26)32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,26,27,32) | 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)) | BDBM50355928
(CHEMBL1910398)Show SMILES CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1 Show InChI InChI=1S/C25H32N4O4S/c1-24(2)14-25(22(31)33-24)10-5-11-29(15-25)16-8-12-28(13-9-16)21(30)19-17-6-3-4-7-18(17)34-20(19)27-23(26)32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H3,26,27,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 84 | 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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