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BDBM152873 US8993586, 51

SMILES: COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C

InChI Key: InChIKey=RMBYNQGFWQRMHV-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 = 152873   
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))
BDBM152873
PNG
(US8993586, 51)
Show SMILES COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O4/c1-25(2,3)31-15-16-14-26(28-23(32)21(16)29-31)9-11-30(12-10-26)24(33)18-13-20(35-5)17-7-6-8-19(34-4)22(17)27-18/h6-8,13,15H,9-12,14H2,1-5H3,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.40n/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)

More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM152873
PNG
(US8993586, 51)
Show SMILES COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C26H31N5O4/c1-25(2,3)31-15-16-14-26(28-23(32)21(16)29-31)9-11-30(12-10-26)24(33)18-13-20(35-5)17-7-6-8-19(34-4)22(17)27-18/h6-8,13,15H,9-12,14H2,1-5H3,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair