Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50007346   

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/RNaseH (Human immunodeficiency virus 1)	BDBM50036504 ((R-(-))-8-Methyl-6,7,8,9-tetrahydro-2H-2,7,9a-tria...) Show SMILES CC1Cn2c3c(CN1)cccc3[nH]c2=O Show InChI InChI=1S/C11H13N3O/c1-7-6-14-10-8(5-12-7)3-2-4-9(10)13-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,13,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM10245 (3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6....) Show SMILES Fc1cccc(F)c1C1SCc2nc3ccccc3n12 Show InChI InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17665 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)| Show InChI InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17666 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)| Show InChI InChI=1S/C20H12F4N2/c21-13-5-3-6-14(22)12(13)11-26-18-10-2-1-9-17(18)25-20(26)19-15(23)7-4-8-16(19)24/h1-10H,11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Cross Resistance (antiviral activity) of the compound with 4xAZT (Nonnucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathi...				J Med Chem 40: 4199-207 (1998) Article DOI: 10.1021/jm970096g BindingDB Entry DOI: 10.7270/Q25B01KN
					More data for this Ligand-Target Pair