Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'nagahashi' and Initial = 'n'   

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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614981 (CHEMBL5284493) Show SMILES C[C@H]([C@H](NC(=O)[C@@H](F)c1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614969 (CHEMBL5284304) Show SMILES C[C@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614979 (CHEMBL5278346) Show SMILES C[C@H]([C@H](NC(=O)[C@@H](F)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614978 (CHEMBL5289954) Show SMILES C[C@H]([C@H](NC(=O)C(F)(F)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614966 (CHEMBL5271230) Show SMILES Cc1ccc(cc1)C(NC(=O)Cc1ccc2CCCCc2c1)C(C)(C)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614962 (CHEMBL5273621) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(O)=O)N1CCCCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614965 (CHEMBL5286485) Show SMILES Cc1ccc(cc1)[C@H](CC(O)=O)NC(=O)Cc1ccc2CCCCc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614963 (CHEMBL5266194) Show SMILES Cc1ccc(cc1)C(CC(O)=O)NC(=O)Cc1ccc2CCCCc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614968 (CHEMBL5283445) Show SMILES C[C@@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614967 (CHEMBL5274849) Show SMILES Cc1ccc(cc1)C(NC(=O)Cc1ccc2CCCCc2c1)C1(CC1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614971 (CHEMBL5285861) Show SMILES CC[C@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614972 (CHEMBL5289579) Show SMILES C[C@H]([C@H](NC(=O)Cc1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614977 (CHEMBL5277909) Show SMILES CO[C@@H](C(=O)N[C@@H]([C@@H](C)C(O)=O)c1ccc(C)cc1)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614980 (CHEMBL5286321) Show SMILES C[C@H]([C@H](NC(=O)[C@H](F)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614974 (CHEMBL5281246) Show SMILES C[C@H]([C@H](NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614970 (CHEMBL5265976) Show SMILES CC[C@@H]([C@H](NC(=O)Cc1ccc2CCCCc2c1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614964 (CHEMBL5280279) Show SMILES Cc1ccc(cc1)[C@@H](CC(O)=O)NC(=O)Cc1ccc2CCCCc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614975 (CHEMBL5273258) Show SMILES C[C@H]([C@H](NC(=O)[C@H](O)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614973 (CHEMBL5274045) Show SMILES C[C@H]([C@H](NC(=O)C(=O)c1ccccc1)c1ccc(C)cc1)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50614976 (CHEMBL5270092) Show SMILES CO[C@H](C(=O)N[C@@H]([C@@H](C)C(O)=O)c1ccc(C)cc1)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					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

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