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BDBM152825 US8993586, 123

SMILES: CC(C)(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C

InChI Key: InChIKey=QAFQLXQNVOFDDS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 152825   
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))
BDBM152825
PNG
(US8993586, 123)
Show SMILES CC(C)(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C28H36N6O2/c1-26(2,3)30-23-21-15-19(8-7-18(21)9-12-29-23)25(36)33-13-10-28(11-14-33)16-20-17-34(27(4,5)6)32-22(20)24(35)31-28/h7-9,12,15,17H,10-11,13-14,16H2,1-6H3,(H,29,30)(H,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 6.30n/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 (ACC1)


(Homo sapiens (Human))
BDBM152825
PNG
(US8993586, 123)
Show SMILES CC(C)(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C28H36N6O2/c1-26(2,3)30-23-21-15-19(8-7-18(21)9-12-29-23)25(36)33-13-10-28(11-14-33)16-20-17-34(27(4,5)6)32-22(20)24(35)31-28/h7-9,12,15,17H,10-11,13-14,16H2,1-6H3,(H,29,30)(H,31,35)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 78n/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