Found 163 hits of ec50 for UniProtKB: P03406 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Protein Nef
(Human immunodeficiency virus type 1 (isolate BRU/L...) | BDBM288119
(Production of 7′-(3-chloro-2-fluorobenzylcar...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(C)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-11.17,;8.72,-11.94,;7.39,-11.17,;7.39,-9.63,;8.48,-8.55,;7.39,-7.46,;6.3,-8.55,;8.72,-6.69,;8.72,-5.15,;10.06,-4.38,;7.39,-4.38,;7.39,-2.84,;6.05,-5.15,;4.72,-4.38,;4.72,-2.84,;3.39,-2.07,;3.39,-.53,;2.05,-2.84,;3.39,-5.15,;2.05,-4.38,;3.39,-6.69,;4.72,-7.46,;6.05,-6.69,;2.05,-7.46,;2.05,-9,;.72,-6.69,;-.61,-7.46,;-1.95,-6.69,;-1.95,-5.15,;-3.28,-4.38,;-4.61,-5.15,;-4.61,-6.69,;-5.95,-7.46,;-3.28,-7.46,;-3.28,-9,)| Show InChI InChI=1S/C24H25ClFN3O6/c1-13(30)35-21-19-23(33)28(2)12-24(7-14(8-24)11-34-3)29(19)10-16(20(21)31)22(32)27-9-15-5-4-6-17(25)18(15)26/h4-6,10,14H,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 | 0.700 | 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...) | BDBM288127
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-5.32,;6.67,-6.09,;5.33,-5.32,;5.33,-3.78,;6.42,-2.7,;5.33,-1.61,;4.25,-2.7,;6.67,-.84,;6.67,.7,;8,1.47,;5.33,1.47,;5.33,3.01,;4,.7,;2.67,1.47,;2.67,3.01,;1.33,3.78,;,3.01,;1.33,5.32,;,6.09,;2.67,6.09,;1.33,.7,;,1.47,;1.33,-.84,;2.67,-1.61,;4,-.84,;,-1.61,;,-3.15,;-1.33,-.84,;-2.67,-1.61,;-4,-.84,;-4,.7,;-5.33,1.47,;-6.67,.7,;-6.67,-.84,;-8,-1.61,;-5.33,-1.61,;-5.33,-3.15,)| Show InChI InChI=1S/C26H29ClFN3O6/c1-14(2)25(35)37-22-20-24(34)30(3)13-26(8-15(9-26)12-36-4)31(20)11-17(21(22)32)23(33)29-10-16-6-5-7-18(27)19(16)28/h5-7,11,14-15H,8-10,12-13H2,1-4H3,(H,29,33)/t15-,26+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.700 | 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...) | BDBM288106
(Production of Monosodium 7′-(3-chloro-2-fluo...)Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Na])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(8.72,-11.16,;7.39,-10.39,;7.39,-8.85,;8.48,-7.76,;7.39,-6.67,;6.3,-7.76,;8.72,-5.9,;8.72,-4.36,;10.06,-3.59,;7.39,-3.59,;7.39,-2.05,;6.05,-4.36,;4.72,-3.59,;4.72,-2.05,;3.39,-1.28,;3.39,-4.36,;2.05,-3.59,;3.39,-5.9,;4.72,-6.67,;6.05,-5.9,;2.05,-6.67,;2.05,-8.21,;.72,-5.9,;-.61,-6.67,;-1.95,-5.9,;-1.95,-4.36,;-3.28,-3.59,;-4.61,-4.36,;-4.61,-5.9,;-5.95,-6.67,;-3.28,-6.67,;-3.28,-8.21,)| Show InChI InChI=1S/C21H21ClFN3O5.Na/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);/q;+1/p-1/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 | 0.900 | 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...) | BDBM288126
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES CCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@H](COC)C3)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O |r,wU:12.18,wD:14.14,(,6.09,;1.33,5.32,;1.33,3.78,;,3.01,;2.67,3.01,;2.67,1.47,;4,.7,;5.33,1.47,;5.33,3.01,;6.67,.7,;8,1.47,;6.67,-.84,;5.33,-1.61,;6.42,-2.69,;5.33,-3.78,;5.33,-5.32,;6.67,-6.09,;8,-5.32,;4.25,-2.69,;4,-.84,;2.67,-1.61,;1.33,-.84,;,-1.61,;,-3.15,;-1.33,-.84,;-2.67,-1.61,;-4,-.84,;-4,.7,;-5.33,1.47,;-6.67,.7,;-6.67,-.84,;-8,-1.61,;-5.33,-1.61,;-5.33,-3.15,;1.33,.7,;,1.47,)| Show InChI InChI=1S/C25H27ClFN3O6/c1-4-18(31)36-22-20-24(34)29(2)13-25(8-14(9-25)12-35-3)30(20)11-16(21(22)32)23(33)28-10-15-6-5-7-17(26)19(15)27/h5-7,11,14H,4,8-10,12-13H2,1-3H3,(H,28,33)/t14-,25+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.900 | 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...) | BDBM288115
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)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:5.5,wD:3.2,(10.06,-13.22,;8.72,-13.99,;7.39,-13.22,;7.39,-11.68,;8.48,-10.59,;7.39,-9.5,;6.3,-10.59,;8.72,-8.73,;8.72,-7.19,;10.06,-6.42,;7.39,-6.42,;7.39,-4.88,;6.05,-7.19,;4.72,-6.42,;4.72,-4.88,;3.39,-7.19,;2.05,-6.42,;3.39,-8.73,;4.72,-9.5,;6.05,-8.73,;2.05,-9.5,;2.05,-11.04,;.72,-8.73,;-.61,-9.5,;-1.95,-8.73,;-1.95,-7.19,;-3.28,-6.42,;-4.61,-7.19,;-4.61,-8.73,;-5.95,-9.5,;-3.28,-9.5,;-3.28,-11.04,)| 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 | 0.900 | 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...) | BDBM288131
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccc(C)cc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-7.25,;6.67,-8.02,;5.33,-7.25,;5.33,-5.71,;6.42,-4.62,;5.33,-3.53,;4.25,-4.62,;6.67,-2.76,;6.67,-1.22,;8,-.45,;5.33,-.45,;5.33,1.09,;4,-1.22,;2.67,-.45,;2.67,1.09,;1.33,1.86,;,1.09,;1.33,3.4,;2.67,4.17,;2.67,5.71,;1.33,6.48,;1.33,8.02,;,5.71,;,4.17,;1.33,-1.22,;,-.45,;1.33,-2.76,;2.67,-3.53,;4,-2.76,;,-3.53,;,-5.07,;-1.33,-2.76,;-2.67,-3.53,;-4,-2.76,;-4,-1.22,;-5.33,-.45,;-6.67,-1.22,;-6.67,-2.76,;-8,-3.53,;-5.33,-3.53,;-5.33,-5.07,)| Show InChI InChI=1S/C30H29ClFN3O6/c1-17-7-9-19(10-8-17)29(39)41-26-24-28(38)34(2)16-30(11-18(12-30)15-40-3)35(24)14-21(25(26)36)27(37)33-13-20-5-4-6-22(31)23(20)32/h4-10,14,18H,11-13,15-16H2,1-3H3,(H,33,37)/t18-,30+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.900 | 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...) | BDBM288113
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)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:5.5,wD:3.2,(10.06,-10.56,;8.72,-11.33,;7.39,-10.56,;7.39,-9.02,;8.48,-7.93,;7.39,-6.84,;6.3,-7.93,;8.72,-6.07,;8.72,-4.53,;10.06,-3.76,;7.39,-3.76,;7.39,-2.22,;6.05,-4.53,;4.72,-3.76,;4.72,-2.22,;3.39,-4.53,;2.05,-3.76,;3.39,-6.07,;4.72,-6.84,;6.05,-6.07,;2.05,-6.84,;2.05,-8.38,;.72,-6.07,;-.61,-6.84,;-1.95,-6.07,;-1.95,-4.53,;-3.28,-3.76,;-4.61,-4.53,;-4.61,-6.07,;-5.95,-6.84,;-3.28,-6.84,;-3.28,-8.38,)| 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 | 0.900 | 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...) | BDBM288125
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(6.67,-6.09,;5.33,-5.32,;5.33,-3.78,;6.42,-2.7,;5.33,-1.61,;4.25,-2.7,;6.67,-.84,;6.67,.7,;8,1.47,;5.33,1.47,;5.33,3.01,;4,.7,;2.67,1.47,;2.67,3.01,;1.33,3.78,;,3.01,;1.33,5.32,;,6.09,;2.67,6.09,;1.33,.7,;,1.47,;1.33,-.84,;2.67,-1.61,;4,-.84,;,-1.61,;,-3.15,;-1.33,-.84,;-2.67,-1.61,;-4,-.84,;-4,.7,;-5.33,1.47,;-6.67,.7,;-6.67,-.84,;-8,-1.61,;-5.33,-1.61,;-5.33,-3.15,)| Show InChI InChI=1S/C25H27ClFN3O6/c1-13(2)24(34)36-21-19-23(33)29(3)12-25(8-15(9-25)35-4)30(19)11-16(20(21)31)22(32)28-10-14-6-5-7-17(26)18(14)27/h5-7,11,13,15H,8-10,12H2,1-4H3,(H,28,32)/t15-,25+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 0.900 | 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...) | BDBM288122
(US10087178, Example 40)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3cccc(c3)C([O-])=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-18.27,;8.72,-19.04,;7.39,-18.27,;7.39,-16.73,;8.48,-15.65,;7.39,-14.56,;6.3,-15.65,;8.72,-13.79,;8.72,-12.25,;10.06,-11.48,;7.39,-11.48,;7.39,-9.94,;6.05,-12.25,;4.72,-11.48,;4.72,-9.94,;3.39,-9.17,;2.05,-9.94,;3.39,-7.63,;4.72,-6.86,;4.72,-5.32,;3.39,-4.55,;2.05,-5.32,;2.05,-6.86,;.72,-4.55,;-.61,-5.32,;.72,-3.01,;3.39,-12.25,;2.05,-11.48,;3.39,-13.79,;4.72,-14.56,;6.05,-13.79,;2.05,-14.56,;2.05,-16.1,;.72,-13.79,;-.61,-14.56,;-1.95,-13.79,;-1.95,-12.25,;-3.28,-11.48,;-4.61,-12.25,;-4.61,-13.79,;-5.95,-14.56,;-3.28,-14.56,;-3.28,-16.1,)| Show InChI InChI=1S/C30H27ClFN3O8/c1-34-15-30(10-16(11-30)14-42-2)35-13-20(26(37)33-12-19-7-4-8-21(31)22(19)32)24(36)25(23(35)27(34)38)43-29(41)18-6-3-5-17(9-18)28(39)40/h3-9,13,16H,10-12,14-15H2,1-2H3,(H,33,37)(H,39,40)/p-1/t16-,30+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1 | 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...) | BDBM288124
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)Show SMILES CCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@@H](C3)OC)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O |r,wU:12.15,wD:14.16,(,6.09,;1.33,5.32,;1.33,3.78,;,3.01,;2.67,3.01,;2.67,1.47,;4,.7,;5.33,1.47,;5.33,3.01,;6.67,.7,;8,1.47,;6.67,-.84,;5.33,-1.61,;6.42,-2.69,;5.33,-3.78,;4.25,-2.69,;5.33,-5.32,;6.67,-6.09,;4,-.84,;2.67,-1.61,;1.33,-.84,;,-1.61,;,-3.15,;-1.33,-.84,;-2.67,-1.61,;-4,-.84,;-4,.7,;-5.33,1.47,;-6.67,.7,;-6.67,-.84,;-8,-1.61,;-5.33,-1.61,;-5.33,-3.15,;1.33,.7,;,1.47,)| Show InChI InChI=1S/C24H25ClFN3O6/c1-4-17(30)35-21-19-23(33)28(2)12-24(8-14(9-24)34-3)29(19)11-15(20(21)31)22(32)27-10-13-6-5-7-16(25)18(13)26/h5-7,11,14H,4,8-10,12H2,1-3H3,(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 | 1 | 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...) | BDBM288128
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES CCCCCCCCCCCCCCCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@H](COC)C3)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O |r,wU:25.31,wD:27.27,(-.67,5.32,;-2,6.09,;-3.33,5.32,;-4.67,6.09,;-6,5.32,;-7.34,6.09,;-8.67,5.32,;-8.67,3.78,;-7.34,3.01,;-6,3.78,;-4.67,3.01,;-3.33,3.78,;-2,3.01,;-.67,3.78,;.67,3.01,;2,3.78,;2,5.32,;3.33,3.01,;3.33,1.47,;4.67,.7,;6,1.47,;6,3.01,;7.34,.7,;8.67,1.47,;7.34,-.84,;6,-1.61,;7.09,-2.69,;6,-3.78,;6,-5.32,;7.34,-6.09,;8.67,-5.32,;4.91,-2.69,;4.67,-.84,;3.33,-1.61,;2,-.84,;.67,-1.61,;.67,-3.15,;-.67,-.84,;-2,-1.61,;-3.33,-.84,;-3.33,.7,;-4.67,1.47,;-6,.7,;-6,-.84,;-7.34,-1.61,;-4.67,-1.61,;-4.67,-3.15,;2,.7,;.67,1.47,)| Show InChI InChI=1S/C38H53ClFN3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31(44)49-35-33-37(47)42(2)26-38(21-27(22-38)25-48-3)43(33)24-29(34(35)45)36(46)41-23-28-18-17-19-30(39)32(28)40/h17-19,24,27H,4-16,20-23,25-26H2,1-3H3,(H,41,46)/t27-,38+ | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1 | 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...) | BDBM288112
(US10087178, Example 30)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Ca]Oc3c4C(=O)N(C)C[C@]5(C[C@H](COC)C5)n4cc(C(=O)NCc4cccc(Cl)c4F)c3=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:24.31,3.2,wD:26.27,5.5,(7.39,2.15,;6.05,2.92,;4.72,2.15,;4.72,.61,;5.81,-.48,;4.72,-1.56,;3.63,-.48,;6.05,-2.33,;6.05,-3.87,;7.39,-4.64,;4.72,-4.64,;4.72,-6.18,;3.39,-3.87,;2.05,-4.64,;2.05,-6.18,;3.39,-6.95,;4.72,-7.72,;4.72,-9.26,;6.05,-10.03,;7.39,-9.26,;7.39,-7.72,;8.72,-10.03,;10.06,-9.26,;8.72,-11.57,;7.39,-12.34,;8.48,-13.43,;7.39,-14.52,;7.39,-16.06,;8.72,-16.83,;10.06,-16.06,;6.3,-13.43,;6.05,-11.57,;4.72,-12.34,;3.39,-11.57,;2.05,-12.34,;2.05,-13.88,;.72,-11.57,;-.61,-12.34,;-1.95,-11.57,;-1.95,-10.03,;-3.28,-9.26,;-4.61,-10.03,;-4.61,-11.57,;-5.95,-12.34,;-3.28,-12.34,;-3.28,-13.88,;3.39,-10.03,;2.05,-9.26,;.72,-3.87,;-.61,-4.64,;.72,-2.33,;2.05,-1.56,;3.39,-2.33,;-.61,-1.56,;-.61,-.02,;-1.95,-2.33,;-3.28,-1.56,;-4.61,-2.33,;-4.61,-3.87,;-5.95,-4.64,;-7.28,-3.87,;-7.28,-2.33,;-8.62,-1.56,;-5.95,-1.56,;-5.95,-.02,)| Show InChI InChI=1S/2C22H23ClFN3O5.Ca/c2*1-26-11-22(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;/h2*3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;;+2/p-2/t2*12-,22+; | PDB
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.10 | 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...) | BDBM288132
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)CN(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-4.94,;6.67,-5.71,;5.33,-4.94,;5.33,-3.4,;6.42,-2.31,;5.33,-1.22,;4.25,-2.31,;6.67,-.45,;6.67,1.09,;8,1.86,;5.33,1.86,;5.33,3.4,;4,1.09,;2.67,1.86,;2.67,3.4,;1.33,4.17,;1.33,5.71,;,3.4,;-1.33,4.17,;-2.67,3.4,;-1.33,5.71,;1.33,1.09,;,1.86,;1.33,-.45,;2.67,-1.22,;4,-.45,;,-1.22,;,-2.76,;-1.33,-.45,;-2.67,-1.22,;-4,-.45,;-4,1.09,;-5.33,1.86,;-6.67,1.09,;-6.67,-.45,;-8,-1.22,;-5.33,-1.22,;-5.33,-2.76,)| Show InChI InChI=1S/C26H30ClFN4O6/c1-30(2)12-19(33)38-23-21-25(36)31(3)14-26(8-15(9-26)13-37-4)32(21)11-17(22(23)34)24(35)29-10-16-6-5-7-18(27)20(16)28/h5-7,11,15H,8-10,12-14H2,1-4H3,(H,29,35)/t15-,26+ | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.10 | 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...) | BDBM288129
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-6.48,;6.67,-7.25,;5.33,-6.48,;5.33,-4.94,;6.42,-3.85,;5.33,-2.76,;4.25,-3.85,;6.67,-1.99,;6.67,-.45,;8,.32,;5.33,.32,;5.33,1.86,;4,-.45,;2.67,.32,;2.67,1.86,;1.33,2.63,;,1.86,;1.33,4.17,;2.67,4.94,;2.67,6.48,;1.33,7.25,;,6.48,;,4.94,;1.33,-.45,;,.32,;1.33,-1.99,;2.67,-2.76,;4,-1.99,;,-2.76,;,-4.3,;-1.33,-1.99,;-2.67,-2.76,;-4,-1.99,;-4,-.45,;-5.33,.32,;-6.67,-.45,;-6.67,-1.99,;-8,-2.76,;-5.33,-2.76,;-5.33,-4.3,)| Show InChI InChI=1S/C29H27ClFN3O6/c1-33-16-29(11-17(12-29)15-39-2)34-14-20(26(36)32-13-19-9-6-10-21(30)22(19)31)24(35)25(23(34)27(33)37)40-28(38)18-7-4-3-5-8-18/h3-10,14,17H,11-13,15-16H2,1-2H3,(H,32,36)/t17-,29+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.40 | 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...) | BDBM288121
(Production of (E)-4-[7′-(3-chloro-2-fluorobe...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)\C=C\C(O)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-11.91,;8.72,-12.68,;7.39,-11.91,;7.39,-10.37,;8.48,-9.28,;7.39,-8.19,;6.3,-9.28,;8.72,-7.42,;8.72,-5.88,;10.06,-5.11,;7.39,-5.11,;7.39,-3.57,;6.05,-5.88,;4.72,-5.11,;4.72,-3.57,;3.39,-2.8,;3.39,-1.26,;2.05,-3.57,;.72,-2.8,;-.61,-3.57,;-1.95,-2.8,;-.61,-5.11,;3.39,-5.88,;2.05,-5.11,;3.39,-7.42,;4.72,-8.19,;6.05,-7.42,;2.05,-8.19,;2.05,-9.73,;.72,-7.42,;-.61,-8.19,;-1.95,-7.42,;-1.95,-5.88,;-3.28,-5.11,;-4.61,-5.88,;-4.61,-7.42,;-5.95,-8.19,;-3.28,-8.19,;-3.28,-9.73,)| Show InChI InChI=1S/C26H25ClFN3O8/c1-30-13-26(8-14(9-26)12-38-2)31-11-16(24(36)29-10-15-4-3-5-17(27)20(15)28)22(35)23(21(31)25(30)37)39-19(34)7-6-18(32)33/h3-7,11,14H,8-10,12-13H2,1-2H3,(H,29,36)(H,32,33)/b7-6+/t14-,26+ | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.40 | 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...) | BDBM288109
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.4,3.2,(5.95,-.22,;4.61,-.99,;3.28,-.22,;3.28,1.32,;2.19,2.41,;3.28,3.5,;4.37,2.41,;4.61,4.27,;4.61,5.81,;5.95,6.58,;3.28,6.58,;3.28,8.12,;1.95,5.81,;.61,6.58,;.61,8.12,;-.72,8.89,;-.72,10.43,;-2.05,11.2,;-2.05,12.74,;-.72,13.51,;.61,12.74,;.61,11.2,;-.72,5.81,;-2.05,6.58,;-.72,4.27,;.61,3.5,;1.95,4.27,;-2.05,3.5,;-2.05,1.96,;-3.39,4.27,;-4.72,3.5,;-6.05,4.27,;-6.05,5.81,;-7.39,6.58,;-8.72,5.81,;-8.72,4.27,;-10.06,3.5,;-7.39,3.5,;-7.39,1.96,)| Show InChI InChI=1S/C29H29ClFN3O5/c1-33-17-29(11-19(12-29)15-38-2)34-14-21(27(36)32-13-20-9-6-10-22(30)23(20)31)25(35)26(24(34)28(33)37)39-16-18-7-4-3-5-8-18/h3-10,14,19H,11-13,15-17H2,1-2H3,(H,32,36)/t19-,29- | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.5 | 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...) | BDBM288105
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(4.61,-.64,;3.28,.13,;3.28,1.67,;4.37,2.75,;3.28,3.84,;2.19,2.75,;4.61,4.61,;4.61,6.15,;5.95,6.92,;3.28,6.92,;3.28,8.46,;1.95,6.15,;.61,6.92,;.61,8.46,;-.72,9.23,;-.72,10.77,;-2.05,11.54,;-2.05,13.08,;-.72,13.85,;.61,13.08,;.61,11.54,;-.72,6.15,;-2.05,6.92,;-.72,4.61,;.61,3.84,;1.95,4.61,;-2.05,3.84,;-2.05,2.3,;-3.39,4.61,;-4.72,3.84,;-6.05,4.61,;-6.05,6.15,;-7.39,6.92,;-8.72,6.15,;-8.72,4.61,;-10.06,3.84,;-7.39,3.84,;-7.39,2.3,)| Show InChI InChI=1S/C28H27ClFN3O5/c1-32-16-28(11-19(12-28)37-2)33-14-20(26(35)31-13-18-9-6-10-21(29)22(18)30)24(34)25(23(33)27(32)36)38-15-17-7-4-3-5-8-17/h3-10,14,19H,11-13,15-16H2,1-2H3,(H,31,35)/t19-,28+ | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.60 | 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...) | BDBM288130
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-5.71,;6.67,-6.48,;5.33,-5.71,;5.33,-4.17,;6.42,-3.08,;5.33,-1.99,;4.25,-3.08,;6.67,-1.22,;6.67,.32,;8,1.09,;5.33,1.09,;5.33,2.63,;4,.32,;2.67,1.09,;2.67,2.63,;1.33,3.4,;,2.63,;1.33,4.94,;,5.71,;2.67,5.71,;1.33,6.48,;1.33,.32,;,1.09,;1.33,-1.22,;2.67,-1.99,;4,-1.22,;,-1.99,;,-3.53,;-1.33,-1.22,;-2.67,-1.99,;-4,-1.22,;-4,.32,;-5.33,1.09,;-6.67,.32,;-6.67,-1.22,;-8,-1.99,;-5.33,-1.99,;-5.33,-3.53,)| Show InChI InChI=1S/C27H31ClFN3O6/c1-26(2,3)25(36)38-22-20-24(35)31(4)14-27(9-15(10-27)13-37-5)32(20)12-17(21(22)33)23(34)30-11-16-7-6-8-18(28)19(16)29/h6-8,12,15H,9-11,13-14H2,1-5H3,(H,30,34)/t15-,27+ | PDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.90 | 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...) | BDBM288172
((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1ccc(F)cc1F |r| Show InChI InChI=1S/C22H23F2N3O5/c1-3-27-21(31)17-19(29)18(28)15(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-4-5-14(23)6-16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m1/s1 | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.90 | 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...) | BDBM288108
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(5.95,.34,;4.61,-.43,;3.28,.34,;3.28,1.88,;4.37,2.97,;3.28,4.06,;2.19,2.97,;4.61,4.83,;4.61,6.37,;5.95,7.14,;3.28,7.14,;3.28,8.68,;1.95,6.37,;.61,7.14,;.61,8.68,;-.72,9.45,;-.72,10.99,;-2.05,11.76,;-2.05,13.3,;-.72,14.07,;.61,13.3,;.61,11.76,;-.72,6.37,;-2.05,7.14,;-.72,4.83,;.61,4.06,;1.95,4.83,;-2.05,4.06,;-2.05,2.52,;-3.39,4.83,;-4.72,4.06,;-6.05,4.83,;-6.05,6.37,;-7.39,7.14,;-8.72,6.37,;-8.72,4.83,;-10.06,4.06,;-7.39,4.06,;-7.39,2.52,)| Show InChI InChI=1S/C29H29ClFN3O5/c1-33-17-29(11-19(12-29)15-38-2)34-14-21(27(36)32-13-20-9-6-10-22(30)23(20)31)25(35)26(24(34)28(33)37)39-16-18-7-4-3-5-8-18/h3-10,14,19H,11-13,15-17H2,1-2H3,(H,32,36)/t19-,29+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.90 | 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...) | BDBM288113
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)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:5.5,wD:3.2,(10.06,-10.56,;8.72,-11.33,;7.39,-10.56,;7.39,-9.02,;8.48,-7.93,;7.39,-6.84,;6.3,-7.93,;8.72,-6.07,;8.72,-4.53,;10.06,-3.76,;7.39,-3.76,;7.39,-2.22,;6.05,-4.53,;4.72,-3.76,;4.72,-2.22,;3.39,-4.53,;2.05,-3.76,;3.39,-6.07,;4.72,-6.84,;6.05,-6.07,;2.05,-6.84,;2.05,-8.38,;.72,-6.07,;-.61,-6.84,;-1.95,-6.07,;-1.95,-4.53,;-3.28,-3.76,;-4.61,-4.53,;-4.61,-6.07,;-5.95,-6.84,;-3.28,-6.84,;-3.28,-8.38,)| 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 | 1.90 | 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...) | BDBM288107
(Production of Monopotassium 7′-(3-chloro-2-f...)Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(8.72,-11.16,;7.39,-10.39,;7.39,-8.85,;8.48,-7.76,;7.39,-6.67,;6.3,-7.76,;8.72,-5.9,;8.72,-4.36,;10.06,-3.59,;7.39,-3.59,;7.39,-2.05,;6.05,-4.36,;4.72,-3.59,;4.72,-2.05,;3.39,-1.28,;3.39,-4.36,;2.05,-3.59,;3.39,-5.9,;4.72,-6.67,;6.05,-5.9,;2.05,-6.67,;2.05,-8.21,;.72,-5.9,;-.61,-6.67,;-1.95,-5.9,;-1.95,-4.36,;-3.28,-3.59,;-4.61,-4.36,;-4.61,-5.9,;-5.95,-6.67,;-3.28,-6.67,;-3.28,-8.21,)| Show InChI InChI=1S/C21H21ClFN3O5.K/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);/q;+1/p-1/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 | 2.10 | 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...) | BDBM288110
(Production of Monosodium 7′-(3-chloro-2-fluo...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Na])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-10.91,;8.72,-11.68,;7.39,-10.91,;7.39,-9.37,;8.48,-8.28,;7.39,-7.19,;6.3,-8.28,;8.72,-6.42,;8.72,-4.88,;10.06,-4.11,;7.39,-4.11,;7.39,-2.57,;6.05,-4.88,;4.72,-4.11,;4.72,-2.57,;3.39,-1.8,;3.39,-4.88,;2.05,-4.11,;3.39,-6.42,;4.72,-7.19,;6.05,-6.42,;2.05,-7.19,;2.05,-8.73,;.72,-6.42,;-.61,-7.19,;-1.95,-6.42,;-1.95,-4.88,;-3.28,-4.11,;-4.61,-4.88,;-4.61,-6.42,;-5.95,-7.19,;-3.28,-7.19,;-3.28,-8.73,)| Show InChI InChI=1S/C22H23ClFN3O5.Na/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);/q;+1/p-1/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 | 2.20 | 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...) | BDBM288173
((1S,2S)-N-(2,4- difluorobenzyl)-9'-hydroxy- 2'-iso...)Show SMILES COC[C@H]1C[C@@]11Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)N1C(C)C |r| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)28-22(32)18-20(30)19(29)16(9-27(18)11-23(28)7-14(23)10-33-3)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 | 2.20 | 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...) | BDBM288080
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-trans-3- i...)Show SMILES CC(C)O[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:6.5,4.3,(8,-3.01,;6.67,-3.78,;6.67,-5.32,;5.33,-3.01,;5.33,-1.47,;4.25,-.39,;5.33,.7,;6.42,-.39,;6.67,1.47,;6.67,3.01,;8,3.78,;5.33,3.78,;5.33,5.32,;4,3.01,;2.67,3.78,;2.67,5.32,;1.33,3.01,;,3.78,;1.33,1.47,;2.67,.7,;4,1.47,;,.7,;,-.84,;-1.33,1.47,;-2.67,.7,;-4,1.47,;-4,3.01,;-5.33,3.78,;-6.67,3.01,;-6.67,1.47,;-8,.7,;-5.33,.7,;-5.33,-.84,)| Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)33-14-7-23(8-14)11-27(3)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31)/t14-,23- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 2.30 | 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...) | BDBM288091
(N-(2,4-difluorobenzyl)-cis- 3-ethoxy-9'-hydroxy-2'...)Show SMILES CCO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:5.5,wD:3.2,(6.67,-5.32,;6.67,-3.78,;5.33,-3.01,;5.33,-1.47,;6.42,-.39,;5.33,.7,;4.25,-.39,;6.67,1.47,;6.67,3.01,;8,3.78,;5.33,3.78,;5.33,5.32,;4,3.01,;2.67,3.78,;2.67,5.32,;1.33,3.01,;,3.78,;1.33,1.47,;2.67,.7,;4,1.47,;,.7,;,-.84,;-1.33,1.47,;-2.67,.7,;-4,1.47,;-4,3.01,;-5.33,3.78,;-6.67,3.01,;-8,3.78,;-6.67,1.47,;-5.33,.7,;-5.33,-.84,)| Show InChI InChI=1S/C22H23F2N3O5/c1-3-32-14-7-22(8-14)11-26(2)21(31)17-19(29)18(28)15(10-27(17)22)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 | 2.40 | 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...) | BDBM288111
(Production of Monopotassium 7′-(3-chloro-2-f...)Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(10.06,-10.66,;8.72,-11.43,;7.39,-10.66,;7.39,-9.12,;8.48,-8.03,;7.39,-6.94,;6.3,-8.03,;8.72,-6.17,;8.72,-4.63,;10.06,-3.86,;7.39,-3.86,;7.39,-2.32,;6.05,-4.63,;4.72,-3.86,;4.72,-2.32,;3.39,-1.55,;3.39,-4.63,;2.05,-3.86,;3.39,-6.17,;4.72,-6.94,;6.05,-6.17,;2.05,-6.94,;2.05,-8.48,;.72,-6.17,;-.61,-6.94,;-1.95,-6.17,;-1.95,-4.63,;-3.28,-3.86,;-4.61,-4.63,;-4.61,-6.17,;-5.95,-6.94,;-3.28,-6.94,;-3.28,-8.48,)| Show InChI InChI=1S/C22H23ClFN3O5.K/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);/q;+1/p-1/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 | 2.5 | 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...) | 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...) | BDBM288118
(Production of Monopotassium 7′-(3-chloro-2-f...)Show SMILES CCN1C(=O)c2c(O[K])c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F |r,wU:15.20,wD:17.21,(9.39,-5.52,;8.05,-4.75,;6.72,-5.52,;5.39,-4.75,;5.39,-3.21,;4.05,-5.52,;2.72,-4.75,;2.72,-3.21,;1.39,-2.44,;1.39,-5.52,;.05,-4.75,;1.39,-7.06,;2.72,-7.83,;4.05,-7.06,;5.39,-7.83,;6.72,-7.06,;8.21,-6.67,;8.61,-8.15,;7.12,-8.55,;9.94,-8.92,;9.94,-10.46,;.05,-7.83,;.05,-9.37,;-1.28,-7.06,;-2.62,-7.83,;-3.95,-7.06,;-3.95,-5.52,;-5.28,-4.75,;-6.62,-5.52,;-6.62,-7.06,;-7.95,-7.83,;-5.28,-7.83,;-5.28,-9.37,)| Show InChI InChI=1S/C22H23ClFN3O5.K/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);/q;+1/p-1/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 | 2.60 | 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...) | BDBM288123
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(C)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:4.4,wD:2.1,(6.67,-5.71,;5.33,-4.94,;5.33,-3.4,;6.42,-2.31,;5.33,-1.22,;4.25,-2.31,;6.67,-.45,;6.67,1.09,;8,1.86,;5.33,1.86,;5.33,3.4,;4,1.09,;2.67,1.86,;2.67,3.4,;1.33,4.17,;1.33,5.71,;,3.4,;1.33,1.09,;,1.86,;1.33,-.45,;2.67,-1.22,;4,-.45,;,-1.22,;,-2.76,;-1.33,-.45,;-2.67,-1.22,;-4,-.45,;-4,1.09,;-5.33,1.86,;-6.67,1.09,;-6.67,-.45,;-8,-1.22,;-5.33,-1.22,;-5.33,-2.76,)| Show InChI InChI=1S/C23H23ClFN3O6/c1-12(29)34-20-18-22(32)27(2)11-23(7-14(8-23)33-3)28(18)10-15(19(20)30)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,14H,7-9,11H2,1-3H3,(H,26,31)/t14-,23+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 2.80 | 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...) | BDBM288171
((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1CO)C(=O)NCc1ccc(F)cc1F |r| Show InChI InChI=1S/C21H21F2N3O5/c1-2-26-20(31)16-18(29)17(28)14(8-25(16)10-21(26)6-12(21)9-27)19(30)24-7-11-3-4-13(22)5-15(11)23/h3-5,8,12,27,29H,2,6-7,9-10H2,1H3,(H,24,30)/t12-,21-/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 | 2.80 | 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...) | 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...) | 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...) | BDBM288156
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)Show SMILES COC[C@@H]1C[C@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F |r| Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(21)9-31-2)26-8-13(17(27)18(28)16(26)20(25)30)19(29)24-7-11-4-3-5-14(22)15(11)23/h3-5,8,12,28H,6-7,9-10H2,1-2H3,(H,24,29)/t12-,21-/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 | 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...) | 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...) | BDBM288116
(Production of N-(3-chloro-2-fluorobenzyl)-2′...)Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F |r,wU:14.19,wD:16.20,(6.91,8.67,;5.57,9.44,;4.24,8.67,;2.91,9.44,;2.91,10.98,;1.57,8.67,;.24,9.44,;.24,10.98,;-1.09,8.67,;-2.43,9.44,;-1.09,7.13,;.24,6.36,;1.57,7.13,;2.91,6.36,;4.24,7.13,;5.73,7.53,;6.13,6.04,;4.64,5.64,;7.46,5.27,;7.46,3.73,;-2.43,6.36,;-2.43,4.82,;-3.76,7.13,;-5.1,6.36,;-6.43,7.13,;-6.43,8.67,;-7.76,9.44,;-9.1,8.67,;-9.1,7.13,;-10.43,6.36,;-7.76,6.36,;-7.76,4.82,)| 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 | 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...) | BDBM288164
((1S,2S)-N7'-(3-chloro-2- fluorobenzyl)-2'-cyclopro...)Show SMILES CN(C)C(=O)[C@H]1C[C@@]11CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F |r| Show InChI InChI=1S/C24H24ClFN4O5/c1-28(2)22(34)15-8-24(15)11-29(13-6-7-13)23(35)18-20(32)19(31)14(10-30(18)24)21(33)27-9-12-4-3-5-16(25)17(12)26/h3-5,10,13,15,32H,6-9,11H2,1-2H3,(H,27,33)/t15-,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 | 3.30 | 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...) | BDBM288165
((1R,2R)-N7'-(3-chloro-2- fluorobenzyl)-2'-cyclopro...)Show SMILES CN(C)C(=O)[C@@H]1C[C@]11CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F |r| Show InChI InChI=1S/C24H24ClFN4O5/c1-28(2)22(34)15-8-24(15)11-29(13-6-7-13)23(35)18-20(32)19(31)14(10-30(18)24)21(33)27-9-12-4-3-5-16(25)17(12)26/h3-5,10,13,15,32H,6-9,11H2,1-2H3,(H,27,33)/t15-,24-/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 | 3.30 | 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...) | BDBM288066
(N-(3-chloro-2-fluorobenzyl)- trans-3,9'-dihydroxy-...)Show SMILES CN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r,wU:3.3,5.5,(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,;-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 | 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...) | 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...) | BDBM288178
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1CO)C(=O)NCc1cccc(Cl)c1F |r| Show InChI InChI=1S/C21H21ClFN3O5/c1-2-26-20(31)16-18(29)17(28)13(8-25(16)10-21(26)6-12(21)9-27)19(30)24-7-11-4-3-5-14(22)15(11)23/h3-5,8,12,27,29H,2,6-7,9-10H2,1H3,(H,24,30)/t12-,21-/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 | 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...) | BDBM288145
((1S,2S)-N7'-(3-chloro-2- fluorobenzyl)-9'-hydroxy-...)Show SMILES CC(C)N1C[C@@]2(C[C@@H]2C(=O)N(C)C)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C24H26ClFN4O5/c1-12(2)29-11-24(8-15(24)22(34)28(3)4)30-10-14(19(31)20(32)18(30)23(29)35)21(33)27-9-13-6-5-7-16(25)17(13)26/h5-7,10,12,15,32H,8-9,11H2,1-4H3,(H,27,33)/t15-,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 | 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...) | BDBM288152
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)Show SMILES CCN1C[C@]2(C[C@H]2COC)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-26-11-22(7-13(22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)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 | 3.5 | 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...) | BDBM288079
(N-(3-chloro-2-fluorobenzyl)- cis-3-(ethoxymethyl)-...)Show SMILES CCOC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:6.6,wD:4.3,(8.67,-4.55,;7.34,-3.78,;6,-4.55,;4.67,-3.78,;4.67,-2.24,;5.76,-1.16,;4.67,-.07,;3.58,-1.16,;6,.7,;6,2.24,;7.34,3.01,;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,;-7.34,.7,;-8.67,-.07,;-6,-.07,;-6,-1.61,)| Show InChI InChI=1S/C23H25ClFN3O5/c1-3-33-11-13-7-23(8-13)12-27(2)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-14-5-4-6-16(24)17(14)25/h4-6,10,13,30H,3,7-9,11-12H2,1-2H3,(H,26,31)/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 | 3.5 | 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...) | BDBM288081
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-cis-3-isop...)Show SMILES CC(C)O[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:6.6,wD:4.3,(8,-3.01,;6.67,-3.78,;6.67,-5.32,;5.33,-3.01,;5.33,-1.47,;6.42,-.39,;5.33,.7,;4.25,-.39,;6.67,1.47,;6.67,3.01,;8,3.78,;5.33,3.78,;5.33,5.32,;4,3.01,;2.67,3.78,;2.67,5.32,;1.33,3.01,;,3.78,;1.33,1.47,;2.67,.7,;4,1.47,;,.7,;,-.84,;-1.33,1.47,;-2.67,.7,;-4,1.47,;-4,3.01,;-5.33,3.78,;-6.67,3.01,;-6.67,1.47,;-8,.7,;-5.33,.7,;-5.33,-.84,)| Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)33-14-7-23(8-14)11-27(3)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31)/t14-,23+ | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3.5 | 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...) | BDBM288087
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-c...)Show SMILES CCN1C[C@]2(C[C@H](COC)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r,wU:4.10,wD:6.6,(8.67,2.24,;7.34,3.01,;6,2.24,;6,.7,;4.67,-.07,;5.76,-1.16,;4.67,-2.24,;4.67,-3.78,;6,-4.55,;7.34,-3.78,;3.58,-1.16,;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,;-7.34,.7,;-8.67,-.07,;-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/C23H25ClFN3O5/c1-3-27-12-23(7-13(8-23)11-33-2)28-10-15(19(29)20(30)18(28)22(27)32)21(31)26-9-14-5-4-6-16(24)17(14)25/h4-6,10,13,30H,3,7-9,11-12H2,1-2H3,(H,26,31)/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 | 3.5 | 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...) | BDBM288092
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...)Show SMILES CO[C@H]1C[C@]2(C1)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C(=O)N2C(C)C |r,wU:4.4,wD:2.1,(8.95,-3.62,;8.95,-2.08,;7.61,-1.31,;7.21,.17,;5.73,-.23,;6.12,-1.71,;4.39,-1,;3.06,-.23,;1.72,-1,;.39,-.23,;-.94,-1,;-.94,-2.54,;-2.28,-.23,;-3.61,-1,;-4.94,-.23,;-4.94,1.31,;-6.28,2.08,;-7.61,1.31,;-8.95,2.08,;-7.61,-.23,;-6.28,-1,;-6.28,-2.54,;.39,1.31,;-.94,2.08,;1.72,2.08,;1.72,3.62,;3.06,1.31,;4.39,2.08,;4.39,3.62,;5.73,1.31,;7.06,2.08,;8.39,1.31,;7.06,3.62,)| Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)28-22(32)18-20(30)19(29)16(10-27(18)11-23(28)7-15(8-23)33-3)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 | 3.5 | 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...) | BDBM288060
(N-(2,4-difluorobenzyl)-2'- ethyl-9'-hydroxy-cis-3-...)Show SMILES CCN1C[C@]2(C[C@@H](C2)OC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:4.7,wD:6.8,(8.67,2.24,;7.34,3.01,;6,2.24,;6,.7,;4.67,-.07,;5.76,-1.15,;4.67,-2.24,;3.58,-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 | 3.5 | 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 | |
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