BindingDB logo
myBDB logout

BDBM152879 US8993586, 59

SMILES: CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cnc(N)cc4c3)NC(=O)c2n1

InChI Key: InChIKey=CRJFRAICYKCJHD-UHFFFAOYSA-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 = 152879   
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))
BDBM152879
PNG
(US8993586, 59)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cnc(N)cc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H28N6O2/c1-23(2,3)30-14-18-12-24(27-21(31)20(18)28-30)6-8-29(9-7-24)22(32)15-4-5-16-13-26-19(25)11-17(16)10-15/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H2,25,26)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 14n/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))
BDBM152879
PNG
(US8993586, 59)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cnc(N)cc4c3)NC(=O)c2n1
Show InChI InChI=1S/C24H28N6O2/c1-23(2,3)30-14-18-12-24(27-21(31)20(18)28-30)6-8-29(9-7-24)22(32)15-4-5-16-13-26-19(25)11-17(16)10-15/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H2,25,26)(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 123n/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