BDBM50168027 (2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,7,8-hexaaza-acenaphthylen-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL372715

SMILES: Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3nnnc1c23

InChI Key: InChIKey=BIJBBTOMGWDEJN-JTFADIMSSA-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 = 50168027   

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)	BDBM50168027 ((2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,7,8-h...) Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3nnnc1c23 Show InChI InChI=1S/C12H15N7O4/c1-18-10-6-4(9(13)16-18)2-19(11(6)15-17-14-10)12-8(22)7(21)5(3-20)23-12/h2,5,7-8,12,20-22H,3H2,1H3,(H2,13,16)/t5-,7-,8-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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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