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BDBM152891 US8993586, 73

SMILES: CNc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C

InChI Key: InChIKey=NCPNBPONILPIIB-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 = 152891   
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))
BDBM152891
PNG
(US8993586, 73)
Show SMILES CNc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H30N6O2/c1-24(2,3)31-15-19-13-25(28-22(32)21(19)29-31)7-9-30(10-8-25)23(33)16-5-6-17-14-27-20(26-4)12-18(17)11-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,26,27)(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 5.5n/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))
BDBM152891
PNG
(US8993586, 73)
Show SMILES CNc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C25H30N6O2/c1-24(2,3)31-15-19-13-25(28-22(32)21(19)29-31)7-9-30(10-8-25)23(33)16-5-6-17-14-27-20(26-4)12-18(17)11-16/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,26,27)(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 48n/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