BindingDB logo
myBDB logout

BDBM92960 Piperazine derivative, 24

SMILES: O[C@H](CCCCCOCc1c(F)c(F)c(N[N+]#N)c(F)c1F)CN1CCN(C[C@H](O)CCCCCOc2ccc(I)cc2)CC1

InChI Key: InChIKey=SYBNQTLRDGKMFV-DNQXCXABSA-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 = 92960   
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
NADH-ubiquinone oxidoreductase


(Bos taurus (Bovine))		BDBM92960
PNG
(Piperazine derivative, 24)
Show SMILES O[C@H](CCCCCOCc1c(F)c(F)c(N[N+]#N)c(F)c1F)CN1CCN(C[C@H](O)CCCCCOc2ccc(I)cc2)CC1 |r|
Show InChI InChI=1S/C31H43F4IN5O4/c32-27-26(28(33)30(35)31(29(27)34)38-39-37)21-44-17-5-1-3-7-23(42)19-40-13-15-41(16-14-40)20-24(43)8-4-2-6-18-45-25-11-9-22(36)10-12-25/h9-12,23-24,38,42-43H,1-8,13-21H2/q+1/t23-,24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair