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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.4
BDBM152857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM152857
PNG
(US8993586, 35)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4N=C(N)NC4C=C3)NC(=O)c12 |c:26,t:17,20|
Show InChI InChI=1S/C21H27N7O2/c1-12(2)28-17-14(11-23-28)10-21(26-18(17)29)5-7-27(8-6-21)19(30)13-3-4-15-16(9-13)25-20(22)24-15/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3,(H,26,29)(H3,22,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 91n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM152857
PNG
(US8993586, 35)
Show SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4N=C(N)NC4C=C3)NC(=O)c12 |c:26,t:17,20|
Show InChI InChI=1S/C21H27N7O2/c1-12(2)28-17-14(11-23-28)10-21(26-18(17)29)5-7-27(8-6-21)19(30)13-3-4-15-16(9-13)25-20(22)24-15/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3,(H,26,29)(H3,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 487n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-c...


US Patent US8993586 (2015)


BindingDB Entry DOI: 10.7270/Q2N58K43
More data for this
Ligand-Target Pair