BDBM92949 Piperazine derivative, 13

SMILES: O[C@H](CCCCCCCc1ccccc1)CN1CCCN(C[C@H](O)CCCCCCCc2ccccc2)CC1

InChI Key: InChIKey=FWPORARAYRGROB-VSJLXWSYSA-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 = 92949   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
NADH-ubiquinone oxidoreductase (Bos taurus (Bovine))	BDBM92949 (Piperazine derivative, 13) Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCCN(C[C@H](O)CCCCCCCc2ccccc2)CC1 |r| Show InChI InChI=1S/C35H56N2O2/c38-34(24-15-5-1-3-9-18-32-20-11-7-12-21-32)30-36-26-17-27-37(29-28-36)31-35(39)25-16-6-2-4-10-19-33-22-13-8-14-23-33/h7-8,11-14,20-23,34-35,38-39H,1-6,9-10,15-19,24-31H2/t34-,35-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/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
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