BDBM50089379 (2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,8-pentaaza-acenaphthylen-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::(3R,4S,5R)-2-((R)-3-Amino-5-methyl-5H-1,4,5,6,8-pentaaza-acenaphthylen-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-(3-Amino-5-methyl-5H-1,4,5,6,8-pentaaza-acenaphthylen-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL331237::NSC-154020::TRICIRIBINE

SMILES: Cn1nc(N)c2cn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23

InChI Key: InChIKey=HOGVTUZUJGHKPL-WOSMQSJRSA-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 = 50089379   

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 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50089379 ((2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,8-pen...) Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23 Show InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8+,9+,13?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase				J Med Chem 48: 3840-51 (2005) Article DOI: 10.1021/jm0402014 BindingDB Entry DOI: 10.7270/Q2D50MH7
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