BDBM50099375 CHEMBL384228::Neo-Neo dimer

SMILES: NCC1OC(OC2C(CSCCOCCSSCCOCCSCC3OC(OC4C(O)C(O)CC(N)C4OC4OC(CN)C(O)C(O)C4N)C(O)C3OC3OC(CN)C(O)C(O)C3N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O

InChI Key: InChIKey=KWHGXVUTJIEFKA-UHFFFAOYSA-N

Data: 1 Kd

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 = 50099375   

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)	BDBM50099375 (CHEMBL384228 | Neo-Neo dimer) Show SMILES NCC1OC(OC2C(CSCCOCCSSCCOCCSCC3OC(OC4C(O)C(O)CC(N)C4OC4OC(CN)C(O)C(O)C4N)C(O)C3OC3OC(CN)C(O)C(O)C3N)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O Show InChI InChI=1S/C54H105N11O27S4/c55-11-21-33(69)37(73)27(62)49(81-21)87-43-18(60)9-17(59)31(67)47(43)91-53-41(77)45(89-51-29(64)39(75)35(71)23(13-57)83-51)25(85-53)15-93-5-1-79-3-7-95-96-8-4-80-2-6-94-16-26-46(90-52-30(65)40(76)36(72)24(14-58)84-52)42(78)54(86-26)92-48-32(68)20(66)10-19(61)44(48)88-50-28(63)38(74)34(70)22(12-56)82-50/h17-54,66-78H,1-16,55-65H2	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	10	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