Compile Data Set for Download or QSAR

Found 167 hits Enz. Inhib. hit(s) with Target = 'Protein Nef'   

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
Protein Nef/Tyrosine-protein kinase HCK (Homo sapiens (Human)-Human immunodeficiency virus ...)	BDBM36545 (DFP-4APF | diphenylfuropyrimidine-4-aminopropylfur...) Show SMILES C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cc1ccco1 Show InChI InChI=1S/C25H21N3O2/c1-3-9-18(10-4-1)21-22-24(26-15-7-13-20-14-8-16-29-20)27-17-28-25(22)30-23(21)19-11-5-2-6-12-19/h1-6,8-12,14,16-17H,7,13,15H2,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	25
University of Pittsburgh School of Medicine					Assay Description In vitro kinase activity of Nef-Hck complex and Hck alone using Z'-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.				ACS Chem Biol 4: 939-47 (2009) Article DOI: 10.1021/cb900195c BindingDB Entry DOI: 10.7270/Q2PG1Q32
					More data for this Ligand-Target Pair
Protein Nef/Tyrosine-protein kinase HCK (Homo sapiens (Human)-Human immunodeficiency virus ...)	BDBM14807 (3-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-pr...) Show SMILES OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C21H19N3O2/c25-13-7-12-22-20-18-17(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)26-21(18)24-14-23-20/h1-6,8-11,14,25H,7,12-13H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	25
University of Pittsburgh School of Medicine					Assay Description In vitro kinase activity of Nef-Hck complex and Hck alone using Z'-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.				ACS Chem Biol 4: 939-47 (2009) Article DOI: 10.1021/cb900195c BindingDB Entry DOI: 10.7270/Q2PG1Q32
					More data for this Ligand-Target Pair
Protein Nef/Tyrosine-protein kinase HCK (Homo sapiens (Human)-Human immunodeficiency virus ...)	BDBM36544 (DFP-4AB | Diphenylfuropyrimidine-4-aminobutanol) Show SMILES OCCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C22H21N3O2/c26-14-8-7-13-23-21-19-18(16-9-3-1-4-10-16)20(17-11-5-2-6-12-17)27-22(19)25-15-24-21/h1-6,9-12,15,26H,7-8,13-14H2,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	25
University of Pittsburgh School of Medicine					Assay Description In vitro kinase activity of Nef-Hck complex and Hck alone using Z'-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.				ACS Chem Biol 4: 939-47 (2009) Article DOI: 10.1021/cb900195c BindingDB Entry DOI: 10.7270/Q2PG1Q32
					More data for this Ligand-Target Pair
Protein Nef/Tyrosine-protein kinase HCK (Homo sapiens (Human)-Human immunodeficiency virus ...)	BDBM14806 (5,6-Diphenyl-furo[2,3-d]pyrimidin-4 -ylamine | 5,6...) Show SMILES Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C18H13N3O/c19-17-15-14(12-7-3-1-4-8-12)16(13-9-5-2-6-10-13)22-18(15)21-11-20-17/h1-11H,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	25
University of Pittsburgh School of Medicine					Assay Description In vitro kinase activity of Nef-Hck complex and Hck alone using Z'-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.				ACS Chem Biol 4: 939-47 (2009) Article DOI: 10.1021/cb900195c BindingDB Entry DOI: 10.7270/Q2PG1Q32
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288019 (US10087178, Example 1) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(5.33,-4.55,;4,-3.78,;4,-2.24,;5.09,-1.15,;4,-.07,;2.91,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29)/t12-,21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288020 (US10087178, Example 2) Show SMILES CO[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.3,2.1,(5.33,-4.55,;4,-3.78,;4,-2.24,;2.91,-1.15,;4,-.07,;5.09,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29)/t12-,21-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288021 (US10087178, Example 3) Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,(5.33,-6.09,;5.33,-4.55,;4,-3.78,;4,-2.24,;5.09,-1.15,;4,-.07,;2.91,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12?,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288022 (US10087178, Example 4) Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.4,3.2,(5.33,-6.09,;5.33,-4.55,;4,-3.78,;4,-2.24,;2.91,-1.15,;4,-.07,;5.09,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288023 (US10087178, Example 5) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11CC(C1)OC)C(=O)NCc1cccc(Cl)c1F |r,wD:14.19,(8,2.24,;6.67,3.01,;5.33,2.24,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;4,-.07,;5.33,.7,;5.81,-.76,;7.34,-.92,;6.87,.54,;8.54,-1.89,;8.3,-3.41,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13?,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288024 (US10087178, Example 6) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F |r,wU:16.20,wD:14.19,(8,2.24,;6.67,3.01,;5.33,2.24,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;4,-.07,;5.33,.7,;5.81,-.76,;7.34,-.92,;6.87,.54,;8.54,-1.89,;8.3,-3.41,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288025 (US10087178, Example 7) Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(OC)c(Cl)c1F |r,wU:5.4,3.2,(5.33,-6.09,;5.33,-4.55,;4,-3.78,;4,-2.24,;2.91,-1.15,;4,-.07,;5.09,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-10.67,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C23H25ClFN3O6/c1-27-11-23(6-12(7-23)10-33-2)28-9-14(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(34-3)16(24)17(13)25/h4-5,9,12,30H,6-8,10-11H2,1-3H3,(H,26,31)/t12-,23-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288027 (US10087178, Example 8) Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(OC)c(Cl)c1F |r,wU:5.5,(5.33,-6.09,;5.33,-4.55,;4,-3.78,;4,-2.24,;5.09,-1.15,;4,-.07,;2.91,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-10.67,2.24,;-8,.7,;-9.34,-.07,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C23H25ClFN3O6/c1-27-11-23(6-12(7-23)10-33-2)28-9-14(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(34-3)16(24)17(13)25/h4-5,9,12,30H,6-8,10-11H2,1-3H3,(H,26,31)/t12?,23-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288028 (US10087178, Example 9) Show SMILES CC(C)N1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288029 (US10087178, Example 10) Show SMILES COC[C@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F |r| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(24)6-17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288030 (US10087178, Example 11 | US10087178, Example 15) Show SMILES CC(C)N1C[C@@]2(C[C@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288031 (US10087178, Example 12 | US10087178, Example 16) Show SMILES COC[C@@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F |r| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(24)6-17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288032 (US10087178, Example 13) Show SMILES CC(C)N1C[C@]2(C[C@@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288033 (US10087178, Example 14) Show SMILES COC[C@H]1C[C@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F |r| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(24)6-17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288030 (US10087178, Example 11 | US10087178, Example 15) Show SMILES CC(C)N1C[C@@]2(C[C@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288031 (US10087178, Example 12 | US10087178, Example 16) Show SMILES COC[C@@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F |r| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(24)6-17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288036 (US10087178, Example 17) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1cccc(Cl)c1F |r| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288037 (US10087178, Example 18) Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1COC)C(=O)NCc1cccc(Cl)c1F |r| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288038 (US10087178, Example 19) Show SMILES CC(C)N1C[C@@]2(C[C@@H]2C(=O)N(C)C)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C24H26F2N4O5/c1-12(2)29-11-24(8-16(24)22(34)28(3)4)30-10-15(19(31)20(32)18(30)23(29)35)21(33)27-9-13-5-6-14(25)7-17(13)26/h5-7,10,12,16,32H,8-9,11H2,1-4H3,(H,27,33)/t16-,24-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288039 (US10087178, Example 20) Show SMILES CC(C)N1CC2(CC(C2)N(C)C(C)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |(6.67,4.55,;6.67,3.01,;8,2.24,;5.33,2.24,;5.33,.7,;4,-.07,;2.91,-1.15,;4,-2.24,;5.09,-1.15,;4,-3.78,;2.67,-4.55,;5.33,-4.55,;5.33,-6.09,;6.67,-3.78,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C25H28F2N4O5/c1-13(2)30-12-25(8-17(9-25)29(4)14(3)32)31-11-18(21(33)22(34)20(31)24(30)36)23(35)28-10-15-5-6-16(26)7-19(15)27/h5-7,11,13,17,34H,8-10,12H2,1-4H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288040 (US10087178, Example 21) Show SMILES CC(C)N1C[C@]2(C[C@H]2CS(C)(=O)=O)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C23H25ClFN3O6S/c1-12(2)27-11-23(7-14(23)10-35(3,33)34)28-9-15(19(29)20(30)18(28)22(27)32)21(31)26-8-13-5-4-6-16(24)17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288041 (US10087178, Example S1 | trans-3-(benzyloxy)-N-(2,...) Show SMILES CC(C)N1C[C@@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.5,7.9,(6.67,4.55,;6.67,3.01,;8,2.24,;5.33,2.24,;5.33,.7,;4,-.07,;2.91,-1.15,;4,-2.24,;5.09,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C29H29F2N3O5/c1-17(2)33-16-29(11-21(12-29)39-15-18-6-4-3-5-7-18)34-14-22(25(35)26(36)24(34)28(33)38)27(37)32-13-19-8-9-20(30)10-23(19)31/h3-10,14,17,21,36H,11-13,15-16H2,1-2H3,(H,32,37)/t21-,29-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.70	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288042 (US10087178, Example S2 | cis-3-(benzyloxy)-N-(2,4-...) Show SMILES CC(C)N1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.8,wD:7.9,(6.67,4.55,;6.67,3.01,;8,2.24,;5.33,2.24,;5.33,.7,;4,-.07,;5.09,-1.15,;4,-2.24,;2.91,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C29H29F2N3O5/c1-17(2)33-16-29(11-21(12-29)39-15-18-6-4-3-5-7-18)34-14-22(25(35)26(36)24(34)28(33)38)27(37)32-13-19-8-9-20(30)10-23(19)31/h3-10,14,17,21,36H,11-13,15-16H2,1-2H3,(H,32,37)/t21-,29+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288043 (N-(2,4-difluorobenzyl)- trans-3,9'-dihydroxy-2'- i...) Show SMILES CC(C)N1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.5,7.7,(7.34,4.17,;7.34,2.63,;8.67,1.86,;6,1.86,;6,.32,;4.67,-.45,;3.58,-1.54,;4.67,-2.63,;4.67,-4.17,;5.76,-1.54,;3.33,.32,;2,-.45,;.67,.32,;-.67,-.45,;-.67,-1.99,;-2,.32,;-3.33,-.45,;-4.67,.32,;-4.67,1.86,;-6,2.63,;-7.34,1.86,;-8.67,2.63,;-7.34,.32,;-6,-.45,;-6,-1.99,;.67,1.86,;-.67,2.63,;2,2.63,;2,4.17,;3.33,1.86,;4.67,2.63,;4.67,4.17,)| Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-14(28)7-22)27-9-15(18(29)19(30)17(27)21(26)32)20(31)25-8-12-3-4-13(23)5-16(12)24/h3-5,9,11,14,28,30H,6-8,10H2,1-2H3,(H,25,31)/t14-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288044 (N-(2,4-difluorobenzyl)-cis- 3,9'-dihydroxy-2'-isop...) Show SMILES CC(C)N1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.9,wD:7.7,(7.34,4.17,;7.34,2.63,;8.67,1.86,;6,1.86,;6,.32,;4.67,-.45,;5.76,-1.54,;4.67,-2.63,;4.67,-4.17,;3.58,-1.54,;3.33,.32,;2,-.45,;.67,.32,;-.67,-.45,;-.67,-1.99,;-2,.32,;-3.33,-.45,;-4.67,.32,;-4.67,1.86,;-6,2.63,;-7.34,1.86,;-8.67,2.63,;-7.34,.32,;-6,-.45,;-6,-1.99,;.67,1.86,;-.67,2.63,;2,2.63,;2,4.17,;3.33,1.86,;4.67,2.63,;4.67,4.17,)| Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-14(28)7-22)27-9-15(18(29)19(30)17(27)21(26)32)20(31)25-8-12-3-4-13(23)5-16(12)24/h3-5,9,11,14,28,30H,6-8,10H2,1-2H3,(H,25,31)/t14-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288045 (N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...) Show SMILES CO[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:4.3,2.1,(6,-4.55,;4.67,-3.78,;4.67,-2.24,;3.58,-1.15,;4.67,-.07,;5.76,-1.15,;6,.7,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;4.67,3.01,;4.67,4.55,;3.33,2.24,;2,3.01,;2,4.55,;.67,2.24,;-.67,3.01,;.67,.7,;2,-.07,;3.33,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,)| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-15(8-23)33-3)28-10-16(19(29)20(30)18(28)22(27)32)21(31)26-9-13-4-5-14(24)6-17(13)25/h4-6,10,12,15,30H,7-9,11H2,1-3H3,(H,26,31)/t15-,23-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288046 (N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-ci...) Show SMILES CO[C@H]1C[C@@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:4.4,wD:2.1,(6,-4.55,;4.67,-3.78,;4.67,-2.24,;5.76,-1.15,;4.67,-.07,;3.58,-1.15,;6,.7,;6,2.24,;7.34,3.01,;7.34,4.55,;8.67,2.24,;4.67,3.01,;4.67,4.55,;3.33,2.24,;2,3.01,;2,4.55,;.67,2.24,;-.67,3.01,;.67,.7,;2,-.07,;3.33,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,)| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-15(8-23)33-3)28-10-16(19(29)20(30)18(28)22(27)32)21(31)26-9-13-4-5-14(24)6-17(13)25/h4-6,10,12,15,30H,7-9,11H2,1-3H3,(H,26,31)/t15-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288048 (N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...) Show SMILES COCCO[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:7.6,5.4,(9.34,-3.78,;8,-4.55,;6.67,-3.78,;5.33,-4.55,;4,-3.78,;4,-2.24,;2.91,-1.15,;4,-.07,;5.09,-1.15,;5.33,.7,;5.33,2.24,;6.67,3.01,;6.67,4.55,;8,2.24,;4,3.01,;4,4.55,;2.67,2.24,;1.33,3.01,;1.33,4.55,;,2.24,;-1.33,3.01,;,.7,;1.33,-.07,;2.67,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,)| Show InChI InChI=1S/C25H29F2N3O6/c1-14(2)29-13-25(9-17(10-25)36-7-6-35-3)30-12-18(21(31)22(32)20(30)24(29)34)23(33)28-11-15-4-5-16(26)8-19(15)27/h4-5,8,12,14,17,32H,6-7,9-11,13H2,1-3H3,(H,28,33)/t17-,25-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.30	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288049 (US10087178, Example S9 | trans-3-(benzyloxy)-N-(2,...) Show SMILES CN1C[C@@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:3.3,5.7,(6.67,3.01,;5.33,2.24,;5.33,.7,;4,-.07,;2.91,-1.15,;4,-2.24,;5.09,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C27H25F2N3O5/c1-31-15-27(10-19(11-27)37-14-16-5-3-2-4-6-16)32-13-20(23(33)24(34)22(32)26(31)36)25(35)30-12-17-7-8-18(28)9-21(17)29/h2-9,13,19,34H,10-12,14-15H2,1H3,(H,30,35)/t19-,27-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288050 (US10087178, Example S10 | cis-3-(benzyloxy)-N-(2,4...) Show SMILES CN1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:3.6,wD:5.7,(6.67,3.01,;5.33,2.24,;5.33,.7,;4,-.07,;5.09,-1.15,;4,-2.24,;2.91,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C27H25F2N3O5/c1-31-15-27(10-19(11-27)37-14-16-5-3-2-4-6-16)32-13-20(23(33)24(34)22(32)26(31)36)25(35)30-12-17-7-8-18(28)9-21(17)29/h2-9,13,19,34H,10-12,14-15H2,1H3,(H,30,35)/t19-,27+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288051 (N-(2,4-difluorobenzyl)- trans-3,9'-dihydroxy-2'- m...) Show SMILES CN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:3.3,5.5,(8,2.63,;6.67,1.86,;6.67,.32,;5.33,-.45,;4.25,-1.54,;5.33,-2.63,;5.33,-4.17,;6.42,-1.54,;4,.32,;2.67,-.45,;1.33,.32,;,-.45,;,-1.99,;-1.33,.32,;-2.67,-.45,;-4,.32,;-4,1.86,;-5.33,2.63,;-6.67,1.86,;-8,2.63,;-6.67,.32,;-5.33,-.45,;-5.33,-1.99,;1.33,1.86,;,2.63,;2.67,2.63,;2.67,4.17,;4,1.86,;5.33,2.63,;5.33,4.17,)| Show InChI InChI=1S/C20H19F2N3O5/c1-24-9-20(5-12(26)6-20)25-8-13(16(27)17(28)15(25)19(24)30)18(29)23-7-10-2-3-11(21)4-14(10)22/h2-4,8,12,26,28H,5-7,9H2,1H3,(H,23,29)/t12-,20-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288052 (N-(2,4-difluorobenzyl)-cis- 3,9'-dihydroxy-2'-meth...) Show SMILES CN1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:3.7,wD:5.5,(8,2.63,;6.67,1.86,;6.67,.32,;5.33,-.45,;6.42,-1.54,;5.33,-2.63,;5.33,-4.17,;4.25,-1.54,;4,.32,;2.67,-.45,;1.33,.32,;,-.45,;,-1.99,;-1.33,.32,;-2.67,-.45,;-4,.32,;-4,1.86,;-5.33,2.63,;-6.67,1.86,;-8,2.63,;-6.67,.32,;-5.33,-.45,;-5.33,-1.99,;1.33,1.86,;,2.63,;2.67,2.63,;2.67,4.17,;4,1.86,;5.33,2.63,;5.33,4.17,)| Show InChI InChI=1S/C20H19F2N3O5/c1-24-9-20(5-12(26)6-20)25-8-13(16(27)17(28)15(25)19(24)30)18(29)23-7-10-2-3-11(21)4-14(10)22/h2-4,8,12,26,28H,5-7,9H2,1H3,(H,23,29)/t12-,20+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288053 (N-(2,4-difluorobenzyl)-9'- hydroxy-trans-3-methoxy...) Show SMILES CO[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:4.3,2.1,(6.67,-4.55,;5.33,-3.78,;5.33,-2.24,;4.25,-1.15,;5.33,-.07,;6.42,-1.15,;6.67,.7,;6.67,2.24,;8,3.01,;5.33,3.01,;5.33,4.55,;4,2.24,;2.67,3.01,;2.67,4.55,;1.33,2.24,;,3.01,;1.33,.7,;2.67,-.07,;4,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-8,3.01,;-6.67,.7,;-5.33,-.07,;-5.33,-1.61,)| Show InChI InChI=1S/C21H21F2N3O5/c1-25-10-21(6-13(7-21)31-2)26-9-14(17(27)18(28)16(26)20(25)30)19(29)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,28H,6-8,10H2,1-2H3,(H,24,29)/t13-,21-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.5	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288055 (US10087178, Example S15 | trans-3-(benzyloxy)-N-(2...) Show SMILES CCN1C[C@@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.4,6.8,(8,2.24,;6.67,3.01,;5.33,2.24,;5.33,.7,;4,-.07,;2.91,-1.15,;4,-2.24,;5.09,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C28H27F2N3O5/c1-2-32-16-28(11-20(12-28)38-15-17-6-4-3-5-7-17)33-14-21(24(34)25(35)23(33)27(32)37)26(36)31-13-18-8-9-19(29)10-22(18)30/h3-10,14,20,35H,2,11-13,15-16H2,1H3,(H,31,36)/t20-,28-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.90	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288056 (US10087178, Example S16 | cis-3-(benzyloxy)-N-(2,4...) Show SMILES CCN1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.7,wD:6.8,(8,2.24,;6.67,3.01,;5.33,2.24,;5.33,.7,;4,-.07,;5.09,-1.15,;4,-2.24,;2.91,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C28H27F2N3O5/c1-2-32-16-28(11-20(12-28)38-15-17-6-4-3-5-7-17)33-14-21(24(34)25(35)23(33)27(32)37)26(36)31-13-18-8-9-19(29)10-22(18)30/h3-10,14,20,35H,2,11-13,15-16H2,1H3,(H,31,36)/t20-,28+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.80	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288057 (N-(2,4-difluorobenzyl)-2'- ethyl-trans-3,9'-dihydr...) Show SMILES CCN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.4,6.6,(8.67,1.86,;7.34,2.63,;6,1.86,;6,.32,;4.67,-.45,;3.58,-1.54,;4.67,-2.63,;4.67,-4.17,;5.76,-1.54,;3.33,.32,;2,-.45,;.67,.32,;-.67,-.45,;-.67,-1.99,;-2,.32,;-3.33,-.45,;-4.67,.32,;-4.67,1.86,;-6,2.63,;-7.34,1.86,;-8.67,2.63,;-7.34,.32,;-6,-.45,;-6,-1.99,;.67,1.86,;-.67,2.63,;2,2.63,;2,4.17,;3.33,1.86,;4.67,2.63,;4.67,4.17,)| Show InChI InChI=1S/C21H21F2N3O5/c1-2-25-10-21(6-13(27)7-21)26-9-14(17(28)18(29)16(26)20(25)31)19(30)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,27,29H,2,6-8,10H2,1H3,(H,24,30)/t13-,21-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288058 (N-(2,4-difluorobenzyl)-2'- ethyl-cis-3,9'-dihydrox...) Show SMILES CCN1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.8,wD:6.6,(8.67,1.86,;7.34,2.63,;6,1.86,;6,.32,;4.67,-.45,;5.76,-1.54,;4.67,-2.63,;4.67,-4.17,;3.58,-1.54,;3.33,.32,;2,-.45,;.67,.32,;-.67,-.45,;-.67,-1.99,;-2,.32,;-3.33,-.45,;-4.67,.32,;-4.67,1.86,;-6,2.63,;-7.34,1.86,;-8.67,2.63,;-7.34,.32,;-6,-.45,;-6,-1.99,;.67,1.86,;-.67,2.63,;2,2.63,;2,4.17,;3.33,1.86,;4.67,2.63,;4.67,4.17,)| Show InChI InChI=1S/C21H21F2N3O5/c1-2-25-10-21(6-13(27)7-21)26-9-14(17(28)18(29)16(26)20(25)31)19(30)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,27,29H,2,6-8,10H2,1H3,(H,24,30)/t13-,21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288059 (N-(2,4-difluorobenzyl)-2'- ethyl-9'-hydroxy-trans-...) Show SMILES CCN1C[C@@]2(C[C@@H](C2)OC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.4,6.8,(8.67,2.24,;7.34,3.01,;6,2.24,;6,.7,;4.67,-.07,;3.58,-1.15,;4.67,-2.24,;5.76,-1.15,;4.67,-3.78,;6,-4.55,;3.33,.7,;2,-.07,;.67,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,;.67,2.24,;-.67,3.01,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;4.67,4.55,)| Show InChI InChI=1S/C22H23F2N3O5/c1-3-26-11-22(7-14(8-22)32-2)27-10-15(18(28)19(29)17(27)21(26)31)20(30)25-9-12-4-5-13(23)6-16(12)24/h4-6,10,14,29H,3,7-9,11H2,1-2H3,(H,25,30)/t14-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.80	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288061 (N-(2,4-difluorobenzyl)-cis- 3-ethoxy-2'-ethyl-9'- ...) Show SMILES CCO[C@H]1C[C@@]2(C1)CN(CC)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:5.5,wD:3.2,(7.34,-3.78,;6,-4.55,;4.67,-3.78,;4.67,-2.24,;5.76,-1.15,;4.67,-.07,;3.58,-1.15,;6,.7,;6,2.24,;7.34,3.01,;8.67,2.24,;4.67,3.01,;4.67,4.55,;3.33,2.24,;2,3.01,;2,4.55,;.67,2.24,;-.67,3.01,;.67,.7,;2,-.07,;3.33,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,)| Show InChI InChI=1S/C23H25F2N3O5/c1-3-27-12-23(8-15(9-23)33-4-2)28-11-16(19(29)20(30)18(28)22(27)32)21(31)26-10-13-5-6-14(24)7-17(13)25/h5-7,11,15,30H,3-4,8-10,12H2,1-2H3,(H,26,31)/t15-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288062 (N-(2,4-difluorobenzyl)-9'- hydroxy-cis-3- (hydroxy...) Show SMILES CC(C)N1C[C@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.10,wD:7.7,(8.67,2.24,;7.34,3.01,;7.34,4.55,;6,2.24,;6,.7,;4.67,-.07,;5.76,-1.15,;4.67,-2.24,;4.67,-3.78,;6,-4.55,;3.58,-1.15,;3.33,.7,;2,-.07,;.67,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,;.67,2.24,;-.67,3.01,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;4.67,4.55,)| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(6-13(7-23)10-29)28-9-16(19(30)20(31)18(28)22(27)33)21(32)26-8-14-3-4-15(24)5-17(14)25/h3-5,9,12-13,29,31H,6-8,10-11H2,1-2H3,(H,26,32)/t13-,23+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288063 (N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-ci...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:5.5,wD:3.2,(7.34,-3.78,;6,-4.55,;4.67,-3.78,;4.67,-2.24,;5.76,-1.15,;4.67,-.07,;3.58,-1.15,;6,.7,;6,2.24,;7.34,3.01,;8.67,2.24,;7.34,4.55,;4.67,3.01,;4.67,4.55,;3.33,2.24,;2,3.01,;2,4.55,;.67,2.24,;-.67,3.01,;.67,.7,;2,-.07,;3.33,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,)| Show InChI InChI=1S/C24H27F2N3O5/c1-13(2)28-12-24(7-14(8-24)11-34-3)29-10-17(20(30)21(31)19(29)23(28)33)22(32)27-9-15-4-5-16(25)6-18(15)26/h4-6,10,13-14,31H,7-9,11-12H2,1-3H3,(H,27,32)/t14-,24+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288064 (N-(2,4-difluorobenzyl)-9'- hydroxy-trans-3- (hydro...) Show SMILES CC(C)N1C[C@@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.5,7.7,(8.67,2.24,;7.34,3.01,;7.34,4.55,;6,2.24,;6,.7,;4.67,-.07,;3.58,-1.15,;4.67,-2.24,;4.67,-3.78,;6,-4.55,;5.76,-1.15,;3.33,.7,;2,-.07,;.67,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,;.67,2.24,;-.67,3.01,;2,3.01,;2,4.55,;3.33,2.24,;4.67,3.01,;4.67,4.55,)| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(6-13(7-23)10-29)28-9-16(19(30)20(31)18(28)22(27)33)21(32)26-8-14-3-4-15(24)5-17(14)25/h3-5,9,12-13,29,31H,6-8,10-11H2,1-2H3,(H,26,32)/t13-,23-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288065 (N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...) Show SMILES COC[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:5.4,3.2,(7.34,-3.78,;6,-4.55,;4.67,-3.78,;4.67,-2.24,;3.58,-1.15,;4.67,-.07,;5.76,-1.15,;6,.7,;6,2.24,;7.34,3.01,;8.67,2.24,;7.34,4.55,;4.67,3.01,;4.67,4.55,;3.33,2.24,;2,3.01,;2,4.55,;.67,2.24,;-.67,3.01,;.67,.7,;2,-.07,;3.33,.7,;-.67,-.07,;-.67,-1.61,;-2,.7,;-3.33,-.07,;-4.67,.7,;-4.67,2.24,;-6,3.01,;-7.34,2.24,;-8.67,3.01,;-7.34,.7,;-6,-.07,;-6,-1.61,)| Show InChI InChI=1S/C24H27F2N3O5/c1-13(2)28-12-24(7-14(8-24)11-34-3)29-10-17(20(30)21(31)19(29)23(28)33)22(32)27-9-15-4-5-16(25)6-18(15)26/h4-6,10,13-14,31H,7-9,11-12H2,1-3H3,(H,27,32)/t14-,24-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288067 (N-(3-chloro-2-fluorobenzyl)- cis-3,9'-dihydroxy-2'...) Show SMILES CN1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r,wU:3.7,wD:5.5,(8,2.63,;6.67,1.86,;6.67,.32,;5.33,-.45,;6.42,-1.54,;5.33,-2.63,;5.33,-4.17,;4.25,-1.54,;4,.32,;2.67,-.45,;1.33,.32,;,-.45,;,-1.99,;-1.33,.32,;-2.67,-.45,;-4,.32,;-4,1.86,;-5.33,2.63,;-6.67,1.86,;-6.67,.32,;-8,-.45,;-5.33,-.45,;-5.33,-1.99,;1.33,1.86,;,2.63,;2.67,2.63,;2.67,4.17,;4,1.86,;5.33,2.63,;5.33,4.17,)| Show InChI InChI=1S/C20H19ClFN3O5/c1-24-9-20(5-11(26)6-20)25-8-12(16(27)17(28)15(25)19(24)30)18(29)23-7-10-3-2-4-13(21)14(10)22/h2-4,8,11,26,28H,5-7,9H2,1H3,(H,23,29)/t11-,20+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288068 (N-(3-chloro-2-fluorobenzyl)- trans-3-ethoxy-9'-hyd...) Show SMILES CCO[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.4,3.2,(8,-3.78,;6.67,-4.55,;5.33,-3.78,;5.33,-2.24,;4.25,-1.16,;5.33,-.07,;6.42,-1.16,;6.67,.7,;6.67,2.24,;8,3.01,;5.33,3.01,;5.33,4.55,;4,2.24,;2.67,3.01,;2.67,4.55,;1.33,2.24,;,3.01,;1.33,.7,;2.67,-.07,;4,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-6.67,.7,;-8,-.07,;-5.33,-.07,;-5.33,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-32-13-7-22(8-13)11-26(2)21(31)17-19(29)18(28)14(10-27(17)22)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288069 (N-(3-chloro-2-fluorobenzyl)- cis-3-ethoxy-9'-hydro...) Show SMILES CCO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-3.78,;6.67,-4.55,;5.33,-3.78,;5.33,-2.24,;6.42,-1.16,;5.33,-.07,;4.25,-1.16,;6.67,.7,;6.67,2.24,;8,3.01,;5.33,3.01,;5.33,4.55,;4,2.24,;2.67,3.01,;2.67,4.55,;1.33,2.24,;,3.01,;1.33,.7,;2.67,-.07,;4,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-6.67,.7,;-8,-.07,;-5.33,-.07,;-5.33,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-32-13-7-22(8-13)11-26(2)21(31)17-19(29)18(28)14(10-27(17)22)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.30	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair

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