BindingDB logo
myBDB logout

null

SMILES: C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1

InChI Key: InChIKey=ZECQLNDLCNJAQO-GAJHUEQPSA-N

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 = 186735   
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


(Homo sapiens (Human))		BDBM186735
PNG
(US9169205, 2.27)
Show SMILES C[C@H](NC(=O)c1cnc(N)o1)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1 |r|
Show InChI InChI=1S/C26H30N4O4/c1-17(29-25(31)24-14-28-26(27)34-24)19-4-8-22(9-5-19)33-23-12-13-30(15-23)20-6-10-21(11-7-20)32-16-18-2-3-18/h4-11,14,17-18,23H,2-3,12-13,15-16H2,1H3,(H2,27,28)(H,29,31)/t17-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 107n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...

US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair