BDBM50110803 (4-(6-amino-9H-purin-9-yl)cyclopent-2-enyloxy)methyl(dibromo(phosphono)methyl)diphosphonic acid::9-[4-(Dibromomethyldiphosphonyl)oxyphosphonylmethoxy)-cyclopent-2-enyl]adenine::CHEMBL423652

SMILES: Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)C=C1

InChI Key: InChIKey=JUPXCJHIGDCCSC-UHFFFAOYSA-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 = 50110803   

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)	BDBM50110803 ((4-(6-amino-9H-purin-9-yl)cyclopent-2-enyloxy)meth...) Show SMILES Nc1ncnc2n(cnc12)C1CC(OCP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)C=C1 |c:31| Show InChI InChI=1S/C12H16Br2N5O9P3/c13-12(14,30(22,23)24)31(25,26)28-29(20,21)6-27-8-2-1-7(3-8)19-5-18-9-10(15)16-4-17-11(9)19/h1-2,4-5,7-8H,3,6H2,(H,20,21)(H,25,26)(H2,15,16,17)(H2,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DNA synthesis by HIV reverse transcriptase				J Med Chem 45: 1284-91 (2002) BindingDB Entry DOI: 10.7270/Q2PR7V9F
					More data for this Ligand-Target Pair