BDBM50099376 Aminoglycoside dimer analogue::CHEMBL2368770

SMILES: CN(C)C1=CC2Oc3cc(ccc3C(=C2C=C1)c1ccc(cc1C(O)=O)C(=O)NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](O)[C@H](N)C[C@@H](N)[C@H]3O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3N)O[C@@H]2CO)[C@H](N)[C@H](O)[C@@H]1O)N(C)C

InChI Key: InChIKey=FTQIPUIASISKOY-KFALYHEVSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50099376   

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
Human immunodeficiency virus type 1 REV (Human immunodeficiency virus 1)	BDBM50099376 (Aminoglycoside dimer analogue | CHEMBL2368770) Show SMILES CN(C)C1=CC2Oc3cc(ccc3C(=C2C=C1)c1ccc(cc1C(O)=O)C(=O)NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](O)[C@H](N)C[C@@H](N)[C@H]3O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3N)O[C@@H]2CO)[C@H](N)[C@H](O)[C@@H]1O)N(C)C |r,c:14,17,t:3| Show InChI InChI=1S/C48H67N7O18/c1-54(2)19-6-9-22-27(12-19)67-28-13-20(55(3)4)7-10-23(28)32(22)21-8-5-18(11-24(21)45(65)66)44(64)53-15-29-36(59)38(61)33(51)46(68-29)72-42-31(17-57)70-48(40(42)63)73-43-35(58)25(49)14-26(50)41(43)71-47-34(52)39(62)37(60)30(16-56)69-47/h5-13,25-27,29-31,33-43,46-48,56-63H,14-17,49-52H2,1-4H3,(H,53,64)(H,65,66)/t25-,26-,27?,29+,30+,31-,33-,34+,35-,36-,37-,38+,39-,40-,41-,42-,43-,46-,47-,48+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Tetsed for the ability to bind the HIV-1 RRE-RNA construct by fluorescence anisotropy				Bioorg Med Chem Lett 11: 1127-31 (2001) BindingDB Entry DOI: 10.7270/Q2W66M9H
					More data for this Ligand-Target Pair