BindingDB logo
myBDB logout

BDBM50383761 CHEMBL2030573

SMILES: CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1

InChI Key: InChIKey=KACGVJVQLHBXRV-SANMLTNESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50383761   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50383761
PNG
(CHEMBL2030573)
Show SMILES CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H35N5O4S/c1-16-6-7-18-19(21(29-24(34)27-4)36-20(18)28-16)22(32)30-12-8-17(9-13-30)31-11-5-10-26(15-31)14-25(2,3)35-23(26)33/h6-7,17H,5,8-15H2,1-4H3,(H2,27,29,34)/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...


Bioorg Med Chem Lett 22: 3643-7 (2012)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50383761
PNG
(CHEMBL2030573)
Show SMILES CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1
Show InChI InChI=1S/C26H35N5O4S/c1-16-6-7-18-19(21(29-24(34)27-4)36-20(18)28-16)22(32)30-12-8-17(9-13-30)31-11-5-10-26(15-31)14-25(2,3)35-23(26)33/h6-7,17H,5,8-15H2,1-4H3,(H2,27,29,34)/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...


Bioorg Med Chem Lett 22: 3643-7 (2012)

More data for this
Ligand-Target Pair