Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.4 BDBM50480661

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50480661 (CHEMBL565097) Show SMILES CCc1c(Oc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:16| Show InChI InChI=1S/C20H24N2O3/c1-4-17-18(23)21-20(24)22(12-15-7-5-6-8-15)19(17)25-16-10-13(2)9-14(3)11-16/h7,9-11H,4-6,8,12H2,1-3H3,(H,21,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
ImQuest BioSciences, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 reverse transcriptase assessed as 32P-labeled GMP incorporation into nascent DNA strand				Antimicrob Agents Chemother 52: 225-36 (2008) Article DOI: 10.1128/aac.00972-07 BindingDB Entry DOI: 10.7270/Q2JM2DFB
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50480661 (CHEMBL565097) Show SMILES CCc1c(Oc2cc(C)cc(C)c2)n(CC2=CCCC2)c(=O)[nH]c1=O |t:16| Show InChI InChI=1S/C20H24N2O3/c1-4-17-18(23)21-20(24)22(12-15-7-5-6-8-15)19(17)25-16-10-13(2)9-14(3)11-16/h7,9-11H,4-6,8,12H2,1-3H3,(H,21,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ImQuest BioSciences, Inc. Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant assessed as 32P-labeled GMP incorporation into nascent DNA strand				Antimicrob Agents Chemother 52: 225-36 (2008) Article DOI: 10.1128/aac.00972-07 BindingDB Entry DOI: 10.7270/Q2JM2DFB
					More data for this Ligand-Target Pair