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BDBM152909 US8993586, 97

SMILES: CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nnc4c3)NC(=O)c2n1

InChI Key: InChIKey=OVFPJXHFAKXWMZ-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 = 152909   
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))
BDBM152909
PNG
(US8993586, 97)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nnc4c3)NC(=O)c2n1
Show InChI InChI=1S/C21H25N7O2/c1-20(2,3)28-12-14-11-21(22-18(29)17(14)25-28)6-8-27(9-7-21)19(30)13-4-5-15-16(10-13)24-26-23-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,29)(H,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 45n/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))
BDBM152909
PNG
(US8993586, 97)
Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nnc4c3)NC(=O)c2n1
Show InChI InChI=1S/C21H25N7O2/c1-20(2,3)28-12-14-11-21(22-18(29)17(14)25-28)6-8-27(9-7-21)19(30)13-4-5-15-16(10-13)24-26-23-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,29)(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 219n/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