Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'kroeger smith' and Initial = 'mb'   

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)	BDBM50369418 (CHEMBL58711 | R-87027) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(Cl)ccc3[nH]c2=S |r,wD:1.0,(3.24,.55,;1.7,.51,;1,1.88,;-.51,2.18,;-1.69,1.19,;-1.65,-.35,;-.42,-1.28,;1.07,-.89,;2.07,-2.07,;3.58,-1.8,;4.58,-2.98,;6.09,-2.71,;4.05,-4.42,;-3.1,-1.07,;-3.17,-2.61,;-4.4,-.26,;-4.35,1.28,;-3,2,;-2.63,3.5,;-1.09,3.61,;-.28,4.92,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036586 ((S)-5-Fluoro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(F)ccc3[nH]c2=S |wD:1.0,(11.63,-15.32,;11.63,-13.78,;13.01,-13.12,;13.34,-11.61,;12.35,-10.4,;10.83,-10.41,;9.87,-11.63,;10.23,-13.12,;9.03,-14.11,;7.58,-13.56,;6.39,-14.53,;4.94,-13.98,;6.62,-16.05,;10.05,-9.08,;8.51,-9.1,;10.81,-7.75,;12.35,-7.75,;13.12,-9.08,;14.62,-9.41,;14.79,-10.93,;16.12,-11.69,)| Show InChI InChI=1S/C16H20FN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036599 ((S)-5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-t...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(C)ccc3[nH]c2=S |wD:1.0,(11.98,-15.32,;11.98,-13.78,;13.36,-13.12,;13.69,-11.61,;12.7,-10.4,;11.18,-10.41,;10.22,-11.63,;10.58,-13.12,;9.38,-14.11,;7.93,-13.56,;6.74,-14.53,;5.29,-13.98,;6.98,-16.05,;10.4,-9.08,;8.86,-9.1,;11.16,-7.75,;12.7,-7.75,;13.48,-9.08,;14.97,-9.41,;15.14,-10.93,;16.47,-11.69,)| Show InChI InChI=1S/C17H23N3S/c1-11(2)7-8-19-10-14-12(3)5-6-15-16(14)20(9-13(19)4)17(21)18-15/h5-7,13H,8-10H2,1-4H3,(H,18,21)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036570 ((S)-5-Ethynyl-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=S)C#C |wD:1.0,(12.14,-15.83,;12.13,-14.29,;13.51,-13.61,;13.84,-12.11,;12.86,-10.9,;11.32,-10.92,;10.37,-12.13,;10.73,-13.63,;9.54,-14.61,;8.1,-14.05,;6.91,-15.03,;7.15,-16.55,;5.47,-14.47,;10.55,-9.6,;11.32,-8.27,;12.86,-8.26,;13.63,-9.59,;15.13,-9.92,;15.28,-11.43,;16.62,-12.19,;9.01,-9.6,;7.47,-9.6,)| Show InChI InChI=1S/C18H21N3S/c1-5-14-6-7-16-17-15(14)11-20(9-8-12(2)3)13(4)10-21(17)18(22)19-16/h1,6-8,13H,9-11H2,2-4H3,(H,19,22)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036605 ((S)-5-Methoxy-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES COc1ccc2[nH]c(=S)n3C[C@H](C)N(CC=C(C)C)Cc1c23 |wU:11.11,(6.69,-4.68,;6.69,-6.22,;8.02,-6.99,;8.02,-8.54,;9.35,-9.31,;10.68,-8.54,;12.14,-9.03,;13.05,-7.78,;14.59,-7.79,;12.15,-6.53,;12.7,-4.99,;11.76,-3.35,;12.7,-1.71,;9.95,-3.41,;9.24,-2.04,;10.07,-.73,;9.35,.63,;10.17,1.93,;7.81,.69,;8.96,-4.75,;9.35,-6.24,;10.69,-7.01,)| Show InChI InChI=1S/C17H23N3OS/c1-11(2)7-8-19-10-13-15(21-4)6-5-14-16(13)20(9-12(19)3)17(22)18-14/h5-7,12H,8-10H2,1-4H3,(H,18,22)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50279762 ((5S)-9-chloro-5-methyl-6-(3-methylbut-2-enyl)-4,5,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S |wD:1.0,(11.88,-16.19,;11.86,-14.64,;13.24,-13.98,;13.57,-12.47,;12.6,-11.27,;11.07,-11.28,;10.11,-12.49,;10.46,-13.99,;9.27,-14.97,;7.83,-14.43,;6.62,-15.39,;5.19,-14.85,;6.87,-16.91,;10.3,-9.95,;11.06,-8.61,;10.27,-7.28,;12.6,-8.61,;13.37,-9.95,;14.87,-10.27,;15.02,-11.79,;16.37,-12.56,)| Show InChI InChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM1433 ((11S)-11-methyl-10-(3-methylbut-2-en-1-yl)-1,3,10-...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |r,wD:1.0,(16.54,-10.87,;15.69,-9.78,;16.51,-8.45,;15.85,-7.02,;14.39,-6.55,;13.06,-7.32,;12.7,-8.76,;13.8,-9.86,;13.16,-11.23,;14.12,-12.51,;13.35,-13.93,;11.94,-14.42,;14.15,-15.25,;11.72,-6.55,;11.72,-5.01,;13.06,-4.24,;14.39,-5.01,;15.85,-4.53,;16.76,-5.78,;18.33,-5.78,)| Show InChI InChI=1S/C16H21N3S/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,8-10H2,1-3H3,(H,17,20)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036595 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-thioxo-1,2,...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=S)C#N |wD:1.0,(12.67,-15.73,;12.67,-14.19,;14.05,-13.51,;14.37,-12.01,;13.39,-10.8,;11.87,-10.81,;10.91,-12.03,;11.26,-13.53,;10.07,-14.5,;8.63,-13.95,;7.43,-14.93,;7.67,-16.45,;5.99,-14.37,;11.09,-9.49,;11.85,-8.16,;13.39,-8.15,;14.16,-9.48,;15.66,-9.81,;15.82,-11.33,;17.15,-12.08,;9.55,-9.49,;8.01,-9.49,)| Show InChI InChI=1S/C17H20N4S/c1-11(2)6-7-20-10-14-13(8-18)4-5-15-16(14)21(9-12(20)3)17(22)19-15/h4-6,12H,7,9-10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036573 ((S)-5-Ethynyl-8-methyl-7-(3-methyl-but-2-enyl)-6,7...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=O)C#C |wD:1.0,(12.86,-15.82,;12.86,-14.28,;14.23,-13.61,;14.56,-12.09,;13.59,-10.9,;12.05,-10.9,;11.09,-12.12,;11.46,-13.63,;10.27,-14.59,;8.83,-14.05,;7.63,-15.03,;7.87,-16.54,;6.19,-14.47,;11.28,-9.59,;12.05,-8.26,;13.59,-8.24,;14.36,-9.57,;15.85,-9.9,;16.01,-11.42,;17.34,-12.19,;9.74,-9.6,;8.2,-9.59,)| Show InChI InChI=1S/C18H21N3O/c1-5-14-6-7-16-17-15(14)11-20(9-8-12(2)3)13(4)10-21(17)18(22)19-16/h1,6-8,13H,9-11H2,2-4H3,(H,19,22)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036572 ((S)-5,8-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-t...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(C)ccc3[nH]c2=O |wD:1.0,(11.74,-14.8,;11.74,-13.26,;13.11,-12.58,;13.44,-11.08,;12.47,-9.88,;10.93,-9.89,;9.97,-11.11,;10.34,-12.61,;9.15,-13.58,;7.71,-13.03,;6.51,-14.01,;5.07,-13.45,;6.75,-15.52,;10.16,-8.57,;8.62,-8.57,;10.93,-7.24,;12.47,-7.23,;13.24,-8.56,;14.73,-8.89,;14.89,-10.41,;16.22,-11.16,)| Show InChI InChI=1S/C17H23N3O/c1-11(2)7-8-19-10-14-12(3)5-6-15-16(14)20(9-13(19)4)17(21)18-15/h5-7,13H,8-10H2,1-4H3,(H,18,21)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50036603 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-oxo-1,2,6,7...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=O)C#N |wD:1.0,(12.46,-15.2,;12.46,-13.65,;13.84,-12.99,;14.17,-11.48,;13.19,-10.28,;11.66,-10.29,;10.7,-11.5,;11.05,-13,;9.86,-13.98,;8.42,-13.44,;7.22,-14.4,;7.46,-15.92,;5.78,-13.86,;10.89,-8.96,;11.64,-7.62,;13.19,-7.62,;13.96,-8.96,;15.45,-9.28,;15.62,-10.8,;16.95,-11.57,;9.35,-8.97,;7.8,-8.97,)| Show InChI InChI=1S/C17H20N4O/c1-11(2)6-7-20-10-14-13(8-18)4-5-15-16(14)21(9-12(20)3)17(22)19-15/h4-6,12H,7,9-10H2,1-3H3,(H,19,22)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50068796 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetra...) Show SMILES C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=O |wD:1.0,(4.45,-10.02,;4.45,-8.47,;5.83,-7.79,;6.16,-6.29,;5.18,-5.08,;3.65,-5.1,;2.69,-6.31,;3.05,-7.82,;1.86,-8.79,;.41,-8.24,;-.79,-9.22,;-2.24,-8.66,;-.55,-10.74,;2.88,-3.77,;3.63,-2.44,;5.18,-2.43,;5.95,-3.76,;7.44,-4.09,;7.61,-5.61,;8.94,-6.37,)| Show InChI InChI=1S/C16H21N3O/c1-11(2)7-8-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-7,12H,8-10H2,1-3H3,(H,17,20)/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Maryland College Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127557 (1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(c...) Show SMILES Fc1cccc(F)c1Cn1c(nc2c(CC#N)cccc12)-c1c(F)cccc1F |(10.38,-13.25,;8.86,-12.94,;7.84,-14.09,;6.33,-13.78,;5.84,-12.32,;6.86,-11.17,;5.37,-10.76,;8.38,-11.48,;9.4,-10.34,;8.92,-8.87,;9.82,-7.63,;8.89,-6.37,;7.44,-6.86,;6.09,-6.09,;6.09,-4.56,;7.42,-3.79,;8.75,-3.02,;4.77,-6.88,;4.77,-8.4,;6.09,-9.19,;7.45,-8.4,;11.34,-7.61,;12.1,-6.28,;11.32,-4.95,;13.64,-6.26,;14.42,-7.59,;13.67,-8.94,;12.13,-8.94,;11.37,-10.28,)| Show InChI InChI=1S/C22H13F4N3/c23-15-5-2-6-16(24)14(15)12-29-19-9-1-4-13(10-11-27)21(19)28-22(29)20-17(25)7-3-8-18(20)26/h1-9H,10,12H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17670 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES [O-][N+](=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.75,6.27,;-.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/C20H11F4N3O2/c21-12-4-1-5-13(22)11(12)10-26-16-8-3-9-17(27(28)29)19(16)25-20(26)18-14(23)6-2-7-15(18)24/h1-9H,10H2	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	450	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127555 (1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-ac...) Show SMILES CC(=O)OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(10.58,-5.81,;9.25,-6.59,;7.92,-5.82,;9.26,-8.13,;7.92,-8.9,;7.93,-10.44,;6.6,-11.21,;6.6,-12.75,;7.93,-13.52,;9.27,-12.75,;10.74,-13.21,;11.23,-14.68,;10.2,-15.83,;10.69,-17.27,;12.21,-17.58,;9.68,-18.43,;8.17,-18.11,;7.68,-16.66,;8.7,-15.5,;7.21,-15.1,;11.65,-11.95,;10.73,-10.72,;9.27,-11.21,;13.18,-11.95,;13.96,-13.28,;13.19,-14.61,;15.5,-13.28,;16.26,-11.93,;15.48,-10.6,;13.94,-10.62,;13.16,-9.27,)| Show InChI InChI=1S/C23H16F4N2O2/c1-13(30)31-12-14-5-2-10-20-22(14)28-23(21-18(26)8-4-9-19(21)27)29(20)11-15-16(24)6-3-7-17(15)25/h2-10H,11-12H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50061574 (1-Benzyl-2-(2,6-difluoro-phenyl)-4-methyl-1H-benzo...) Show SMILES Cc1cccc2n(Cc3ccccc3)c(nc12)-c1c(F)cccc1F |(7.92,-7.8,;7.93,-9.34,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;10.74,-12.12,;11.23,-13.59,;10.2,-14.73,;8.7,-14.42,;7.68,-15.57,;8.17,-17.03,;9.68,-17.34,;10.69,-16.19,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;13.18,-10.86,;13.96,-12.19,;13.19,-13.53,;15.5,-12.19,;16.26,-10.85,;15.48,-9.5,;13.94,-9.53,;13.16,-8.2,)| Show InChI InChI=1S/C21H16F2N2/c1-14-7-5-12-18-20(14)24-21(19-16(22)10-6-11-17(19)23)25(18)13-15-8-3-2-4-9-15/h2-12H,13H2,1H3	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	750	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127554 (1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-hy...) Show SMILES OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)| Show InChI InChI=1S/C21H14F4N2O/c22-14-5-2-6-15(23)13(14)10-27-18-9-1-4-12(11-28)20(18)26-21(27)19-16(24)7-3-8-17(19)25/h1-9,28H,10-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127558 (1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H...) Show SMILES Fc1cccc(F)c1Cn1c(nc2c(C=O)cccc12)-c1c(F)cccc1F |(-3.52,-26.57,;-5.03,-26.26,;-6.04,-27.41,;-7.56,-27.1,;-8.04,-25.64,;-7.02,-24.49,;-7.5,-23.03,;-5.51,-24.81,;-4.49,-23.66,;-4.98,-22.2,;-4.08,-20.94,;-4.99,-19.7,;-6.45,-20.18,;-7.79,-19.42,;-7.79,-17.88,;-9.13,-17.11,;-9.12,-20.19,;-9.12,-21.74,;-7.79,-22.51,;-6.45,-21.73,;-2.54,-20.93,;-1.76,-22.26,;-2.53,-23.6,;-.22,-22.26,;.54,-20.92,;-.25,-19.58,;-1.78,-19.6,;-2.56,-18.27,)| Show InChI InChI=1S/C21H12F4N2O/c22-14-5-2-6-15(23)13(14)10-27-18-9-1-4-12(11-28)20(18)26-21(27)19-16(24)7-3-8-17(19)25/h1-9,11H,10H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17674 (4-chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluoroph...) Show SMILES Fc1cccc(F)c1Cn1c(nc2c(Cl)cccc12)-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,;1.21,6.27,;-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/C20H11ClF4N2/c21-12-4-1-9-17-19(12)26-20(18-15(24)7-3-8-16(18)25)27(17)10-11-13(22)5-2-6-14(11)23/h1-9H,10H2	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	400	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					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	440	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127556 (1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(a...) Show SMILES Fc1cccc(F)c1Cn1c(nc2c(CN=[N+]=[N-])cccc12)-c1c(F)cccc1F |(10.38,-13.25,;8.86,-12.94,;7.84,-14.09,;6.33,-13.78,;5.84,-12.32,;6.86,-11.17,;5.37,-10.76,;8.38,-11.48,;9.4,-10.34,;8.92,-8.87,;9.82,-7.63,;8.89,-6.37,;7.44,-6.86,;6.09,-6.09,;6.09,-4.56,;7.42,-3.79,;8.75,-3.02,;10.08,-2.25,;4.77,-6.88,;4.77,-8.4,;6.09,-9.19,;7.45,-8.4,;11.34,-7.61,;12.13,-8.94,;11.37,-10.28,;13.67,-8.94,;14.42,-7.59,;13.64,-6.26,;12.1,-6.28,;11.32,-4.95,)| Show InChI InChI=1S/C21H13F4N5/c22-14-5-2-6-15(23)13(14)11-30-18-9-1-4-12(10-27-29-26)20(18)28-21(30)19-16(24)7-3-8-17(19)25/h1-9H,10-11H2	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	45	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127561 (1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-ch...) Show SMILES Fc1cccc(F)c1Cn1c(nc2c(CCl)cccc12)-c1c(F)cccc1F |(12.21,-16.49,;10.69,-16.19,;9.68,-17.34,;8.17,-17.03,;7.68,-15.57,;8.7,-14.42,;7.21,-14.01,;10.2,-14.73,;11.23,-13.59,;10.74,-12.12,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;7.93,-9.34,;7.92,-7.8,;9.26,-7.03,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;13.18,-10.86,;13.96,-12.19,;13.19,-13.53,;15.5,-12.19,;16.26,-10.85,;15.48,-9.5,;13.94,-9.53,;13.16,-8.17,)| Show InChI InChI=1S/C21H13ClF4N2/c22-10-12-4-1-9-18-20(12)27-21(19-16(25)7-3-8-17(19)26)28(18)11-13-14(23)5-2-6-15(13)24/h1-9H,10-11H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127560 (1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(a...) Show SMILES NCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)| Show InChI InChI=1S/C21H15F4N3/c22-14-5-2-6-15(23)13(14)11-28-18-9-1-4-12(10-26)20(18)27-21(28)19-16(24)7-3-8-17(19)25/h1-9H,10-11,26H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17668 (CHEMBL58494 | N-[2-(2,6-difluorophenyl)-1-[(2,6-di...) Show SMILES CN(C(C)=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.54,5.49,;3.88,6.26,;2.54,3.95,;-.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/C23H17F4N3O/c1-13(31)29(2)19-10-5-11-20-22(19)28-23(21-17(26)8-4-9-18(21)27)30(20)12-14-15(24)6-3-7-16(14)25/h3-11H,12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127562 (1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H...) Show SMILES NC(=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(-6.46,-17.11,;-7.79,-17.88,;-9.13,-17.11,;-7.79,-19.42,;-9.12,-20.19,;-9.12,-21.74,;-7.79,-22.51,;-6.45,-21.73,;-4.98,-22.2,;-4.49,-23.66,;-5.51,-24.81,;-5.03,-26.26,;-3.52,-26.57,;-6.04,-27.41,;-7.56,-27.1,;-8.04,-25.64,;-7.02,-24.49,;-7.5,-23.03,;-4.08,-20.94,;-4.99,-19.7,;-6.45,-20.18,;-2.54,-20.93,;-1.76,-22.26,;-2.53,-23.6,;-.22,-22.26,;.54,-20.92,;-.25,-19.58,;-1.78,-19.6,;-2.56,-18.27,)| Show InChI InChI=1S/C21H13F4N3O/c22-13-5-2-6-14(23)12(13)10-28-17-9-1-4-11(20(26)29)19(17)27-21(28)18-15(24)7-3-8-16(18)25/h1-9H,10H2,(H2,26,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17667 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES COc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;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/C21H14F4N2O/c1-28-18-10-4-9-17-20(18)26-21(19-15(24)7-3-8-16(19)25)27(17)11-12-13(22)5-2-6-14(12)23/h2-10H,11H2,1H3	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	80	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
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	1.70E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17673 (4-bromo-2-(2,6-difluorophenyl)-1-[(2,6-difluorophe...) Show SMILES Fc1cccc(F)c1Cn1c(nc2c(Br)cccc12)-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,;1.21,6.27,;-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/C20H11BrF4N2/c21-12-4-1-9-17-19(12)26-20(18-15(24)7-3-8-16(18)25)27(17)10-11-13(22)5-2-6-14(11)23/h1-9H,10H2	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	370	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50061572 (1-(2,6-Difluoro-benzyl)-2-phenyl-1H-benzoimidazole...) Show SMILES Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C20H14F2N2/c21-16-9-6-10-17(22)15(16)13-24-19-12-5-4-11-18(19)23-20(24)14-7-2-1-3-8-14/h1-12H,13H2	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	6.06E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17669 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES CCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;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/C22H16F4N2/c1-2-13-6-3-11-19-21(13)27-22(20-17(25)9-5-10-18(20)26)28(19)12-14-15(23)7-4-8-16(14)24/h3-11H,2,12H2,1H3	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	820	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50127559 (1-(2,6-Difluoro-benzyl)-2-(2-fluoro-6-methoxy-phen...) Show SMILES COc1cccc(F)c1-c1nc2c(N)cccc2n1Cc1c(F)cccc1F |(12.07,-3.61,;11.31,-4.95,;12.09,-6.28,;13.63,-6.25,;14.41,-7.58,;13.66,-8.93,;12.12,-8.93,;11.36,-10.28,;11.33,-7.6,;9.81,-7.62,;8.89,-6.37,;7.43,-6.86,;6.09,-6.09,;6.09,-4.55,;4.76,-6.87,;4.76,-8.4,;6.09,-9.18,;7.44,-8.4,;8.91,-8.86,;9.39,-10.33,;8.37,-11.47,;6.86,-11.16,;5.32,-11.16,;5.83,-12.31,;6.32,-13.77,;7.84,-14.08,;8.86,-12.93,;10.37,-13.24,)| Show InChI InChI=1S/C21H16F3N3O/c1-28-18-10-3-7-15(24)19(18)21-26-20-16(25)8-4-9-17(20)27(21)11-12-13(22)5-2-6-14(12)23/h2-10H,11,25H2,1H3	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	2.71E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17676 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES CNc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;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/C21H15F4N3/c1-26-17-9-4-10-18-20(17)27-21(19-15(24)7-3-8-16(19)25)28(18)11-12-13(22)5-2-6-14(12)23/h2-10,26H,11H2,1H3	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	2.40E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17672 (2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)meth...) Show SMILES Nc1cccc2n(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/C20H13F4N3/c21-12-4-1-5-13(22)11(12)10-27-17-9-3-8-16(25)19(17)26-20(27)18-14(23)6-2-7-15(18)24/h1-9H,10,25H2	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	530	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM17675 (CHEMBL58358 | N-[2-(2,6-difluorophenyl)-1-[(2,6-di...) Show SMILES CC(=O)Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(2.54,8.57,;1.21,7.81,;-.12,8.58,;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/C22H15F4N3O/c1-12(30)27-18-9-4-10-19-21(18)28-22(20-16(25)7-3-8-17(20)26)29(19)11-13-14(23)5-2-6-15(13)24/h2-10H,11H2,1H3,(H,27,30)	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	1.65E+3	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Inhibition of HIV-1 reverse transcriptase.				J Med Chem 46: 1940-7 (2003) Article DOI: 10.1021/jm020271f BindingDB Entry DOI: 10.7270/Q2610ZPC
					More data for this Ligand-Target Pair