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BDBM152882 US8993586, 62

SMILES: Cc1cc(cc2c(Cl)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C

InChI Key: InChIKey=HBGUCNXLDRHDMC-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 = 152882   
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))
BDBM152882
PNG
(US8993586, 62)
Show SMILES Cc1cc(cc2c(Cl)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C23H27ClN6O2/c1-13-9-14(10-16-17(13)26-27-19(16)24)21(32)29-7-5-23(6-8-29)11-15-12-30(22(2,3)4)28-18(15)20(31)25-23/h9-10,12H,5-8,11H2,1-4H3,(H,25,31)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/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))
BDBM152882
PNG
(US8993586, 62)
Show SMILES Cc1cc(cc2c(Cl)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show InChI InChI=1S/C23H27ClN6O2/c1-13-9-14(10-16-17(13)26-27-19(16)24)21(32)29-7-5-23(6-8-29)11-15-12-30(22(2,3)4)28-18(15)20(31)25-23/h9-10,12H,5-8,11H2,1-4H3,(H,25,31)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.40n/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