BDBM50355920 CHEMBL1910390
SMILES: CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
InChI Key: InChIKey=OCMDYJWGAQELTA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355920 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)) | BDBM50355920
(CHEMBL1910390)Show SMILES CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O Show InChI InChI=1S/C30H35N3O2/c1-2-31-19-15-30(29(31)35)14-7-16-33(21-30)24-12-17-32(18-13-24)28(34)27-25-10-5-3-8-22(25)20-23-9-4-6-11-26(23)27/h3-6,8-11,20,24H,2,7,12-19,21H2,1H3 | 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 | 140 | 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)) | BDBM50355920
(CHEMBL1910390)Show SMILES CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O Show InChI InChI=1S/C30H35N3O2/c1-2-31-19-15-30(29(31)35)14-7-16-33(21-30)24-12-17-32(18-13-24)28(34)27-25-10-5-3-8-22(25)20-23-9-4-6-11-26(23)27/h3-6,8-11,20,24H,2,7,12-19,21H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+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 | |
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