BindingDB logo
myBDB logout

BDBM50350733 CHEMBL1818188

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CNC(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1

InChI Key: InChIKey=SCNRXTBZJMAAGM-OYRHEFFESA-N

Data: 1 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 1 hit for monomerid = 50350733   
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))		BDBM50350733
PNG
(CHEMBL1818188)
Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CNC(=O)c2cc(nc3ccccc23)-c2ccccc2)CC1 |r,wU:9.8,12.12,(-8.92,-13,;-7.58,-12.23,;-7.59,-10.68,;-8.93,-11.45,;-6.25,-12.99,;-4.92,-12.22,;-4.92,-10.68,;-3.58,-12.98,;-3.58,-14.53,;-2.24,-15.29,;-.91,-14.51,;.42,-15.29,;.42,-16.83,;1.75,-17.6,;1.75,-19.15,;3.08,-19.92,;4.42,-19.15,;3.08,-21.46,;4.41,-22.22,;4.42,-23.76,;3.08,-24.53,;1.74,-23.76,;.42,-24.52,;-.9,-23.76,;-.9,-22.22,;.43,-21.46,;1.75,-22.23,;5.75,-24.52,;5.75,-26.06,;7.08,-26.83,;8.42,-26.06,;8.41,-24.51,;7.07,-23.75,;-.91,-17.6,;-2.24,-16.83,)|
Show InChI InChI=1S/C29H35N3O3/c1-29(2,3)35-28(34)31-19-21-15-13-20(14-16-21)18-30-27(33)24-17-26(22-9-5-4-6-10-22)32-25-12-8-7-11-23(24)25/h4-12,17,20-21H,13-16,18-19H2,1-3H3,(H,30,33)(H,31,34)/t20-,21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...

Bioorg Med Chem 19: 3039-53 (2011)


Article DOI: 10.1016/j.bmc.2011.04.014
BindingDB Entry DOI: 10.7270/Q2G44QN2
More data for this
Ligand-Target Pair