BDBM50355933 CHEMBL1910403
SMILES: CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
InChI Key: InChIKey=AEQMXNHFCMAJOR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50355933 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)) | BDBM50355933
(CHEMBL1910403)Show SMILES CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C29H40N4O4S/c1-5-31(6-2)27(36)30-24-23(21-10-7-8-11-22(21)38-24)25(34)32-16-12-20(13-17-32)33-15-9-14-29(19-33)18-28(3,4)37-26(29)35/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3,(H,30,36) | 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 | 1.20E+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 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)) | BDBM50355933
(CHEMBL1910403)Show SMILES CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1 Show InChI InChI=1S/C29H40N4O4S/c1-5-31(6-2)27(36)30-24-23(21-10-7-8-11-22(21)38-24)25(34)32-16-12-20(13-17-32)33-15-9-14-29(19-33)18-28(3,4)37-26(29)35/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3,(H,30,36) | 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 | |
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