BDBM50094284 5-(6-Amino-purin-9-yl)-2-ethynyl-2-hydroxymethyl-tetrahydro-furan-3-ol::CHEMBL141166

SMILES: Nc1ncnc2n(cnc12)[C@H]1C[C@@H](O)[C@@](CO)(O1)C#C

InChI Key: InChIKey=HMIGVKANVVLEOA-DNSOKLHBSA-N

Data: 2 EC50

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 2 hits for monomerid = 50094284   

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)	BDBM50094284 (5-(6-Amino-purin-9-yl)-2-ethynyl-2-hydroxymethyl-t...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@@H](O)[C@@](CO)(O1)C#C Show InChI InChI=1S/C12H13N5O3/c1-2-12(4-18)7(19)3-8(20-12)17-6-16-9-10(13)14-5-15-11(9)17/h1,5-8,18-19H,3-4H2,(H2,13,14,15)/t7-,8-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Tested in vitro against HIV-1 LAI from MT-4 cells using MTT assay				J Med Chem 43: 4516-25 (2000) BindingDB Entry DOI: 10.7270/Q2GM881Z
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50094284 (5-(6-Amino-purin-9-yl)-2-ethynyl-2-hydroxymethyl-t...) Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@@H](O)[C@@](CO)(O1)C#C Show InChI InChI=1S/C12H13N5O3/c1-2-12(4-18)7(19)3-8(20-12)17-6-16-9-10(13)14-5-15-11(9)17/h1,5-8,18-19H,3-4H2,(H2,13,14,15)/t7-,8-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
Tohoku University Curated by ChEMBL					Assay Description Tested in vitro against HIV-1 MDR using MAGI assay				J Med Chem 43: 4516-25 (2000) BindingDB Entry DOI: 10.7270/Q2GM881Z
					More data for this Ligand-Target Pair