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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'terashita' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286250
PNG
(CHEMBL4159751)
Show SMILES OC(=O)CNC(=O)c1c(O)cc(-c2cccc(Cl)c2)c2ncnn12
Show InChI InChI=1S/C15H11ClN4O4/c16-9-3-1-2-8(4-9)10-5-11(21)13(15(24)17-6-12(22)23)20-14(10)18-7-19-20/h1-5,7,21H,6H2,(H,17,24)(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286228
PNG
(CHEMBL4174643)
Show SMILES OC(=O)CNC(=O)c1c(O)cc(-c2cccc(Cl)c2)n2ncnc12
Show InChI InChI=1S/C15H11ClN4O4/c16-9-3-1-2-8(4-9)10-5-11(21)13(14-18-7-19-20(10)14)15(24)17-6-12(22)23/h1-5,7,21H,6H2,(H,17,24)(H,22,23)
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n/an/a 120n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286232
PNG
(CHEMBL4173606)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(-c2ccccc2)c2ncnn12
Show InChI InChI=1S/C15H12N4O4/c20-11-6-10(9-4-2-1-3-5-9)14-17-8-18-19(14)13(11)15(23)16-7-12(21)22/h1-6,8,20H,7H2,(H,16,23)(H,21,22)
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n/an/a 190n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286231
PNG
(CHEMBL4175056)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(-c2ccccc2)n2ncnc12
Show InChI InChI=1S/C15H12N4O4/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22/h1-6,8,20H,7H2,(H,16,23)(H,21,22)
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n/an/a 210n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286068
PNG
(CHEMBL4171201)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccc(F)cc2)n2ncnc12
Show InChI InChI=1S/C17H15FN4O4/c18-11-4-1-10(2-5-11)3-6-12-7-13(23)15(16-20-9-21-22(12)16)17(26)19-8-14(24)25/h1-2,4-5,7,9,23H,3,6,8H2,(H,19,26)(H,24,25)
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n/an/a 290n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 300n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (181 to 426 residues) (unknown origin) using biotinylated CODD peptide as substrate preincubated for 15 mins followed by substrate...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286263
PNG
(CHEMBL4167657)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)c2ncnn12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)16-19-10-20-21(16)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a 370n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286233
PNG
(CHEMBL4175892)
Show SMILES Cl.CCCCc1cc(O)c(C(=O)NCC(O)=O)c2ncnn12
Show InChI InChI=1S/C13H16N4O4/c1-2-3-4-8-5-9(18)11(12-15-7-16-17(8)12)13(21)14-6-10(19)20/h5,7,18H,2-4,6H2,1H3,(H,14,21)(H,19,20)
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n/an/a 450n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286227
PNG
(CHEMBL4160770)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)ccc2ncnn12
Show InChI InChI=1S/C9H8N4O4/c14-5-1-2-6-11-4-12-13(6)8(5)9(17)10-3-7(15)16/h1-2,4,14H,3H2,(H,10,17)(H,15,16)
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n/an/a 650n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286224
PNG
(CHEMBL4162891)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(C2CCCCC2)c2ncnn12
Show InChI InChI=1S/C15H18N4O4/c20-11-6-10(9-4-2-1-3-5-9)14-17-8-18-19(14)13(11)15(23)16-7-12(21)22/h6,8-9,20H,1-5,7H2,(H,16,23)(H,21,22)
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n/an/a 720n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286230
PNG
(CHEMBL4171371)
Show SMILES Cl.CCCc1cc(O)c(C(=O)NCC(O)=O)c2ncnn12
Show InChI InChI=1S/C12H14N4O4/c1-2-3-7-4-8(17)10(11-14-6-15-16(7)11)12(20)13-5-9(18)19/h4,6,17H,2-3,5H2,1H3,(H,13,20)(H,18,19)
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n/an/a 730n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286072
PNG
(CHEMBL4164403)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(C2CCCCC2)n2ncnc12
Show InChI InChI=1S/C15H18N4O4/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22/h6,8-9,20H,1-5,7H2,(H,16,23)(H,21,22)
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n/an/a 730n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286069
PNG
(CHEMBL4174815)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)ccn2ncnc12
Show InChI InChI=1S/C9H8N4O4/c14-5-1-2-13-8(11-4-12-13)7(5)9(17)10-3-6(15)16/h1-2,4,14H,3H2,(H,10,17)(H,15,16)
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n/an/a 820n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286248
PNG
(CHEMBL4168030)
Show SMILES Cl.CCCCCc1cc(O)c(C(=O)NCC(O)=O)c2ncnn12
Show InChI InChI=1S/C14H18N4O4/c1-2-3-4-5-9-6-10(19)12(13-16-8-17-18(9)13)14(22)15-7-11(20)21/h6,8,19H,2-5,7H2,1H3,(H,15,22)(H,20,21)
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n/an/a 850n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286247
PNG
(CHEMBL4164159)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)ccn2cnnc12
Show InChI InChI=1S/C9H8N4O4/c14-5-1-2-13-4-11-12-8(13)7(5)9(17)10-3-6(15)16/h1-2,4,14H,3H2,(H,10,17)(H,15,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286070
PNG
(CHEMBL4166512)
Show SMILES Cl.Cc1nc2c(C(=O)NCC(O)=O)c(O)cc(CCc3ccccc3)n2n1
Show InChI InChI=1S/C18H18N4O4/c1-11-20-17-16(18(26)19-10-15(24)25)14(23)9-13(22(17)21-11)8-7-12-5-3-2-4-6-12/h2-6,9,23H,7-8,10H2,1H3,(H,19,26)(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286245
PNG
(CHEMBL4163070)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2cc(Oc3ccccc3)ccc2c1O
Show InChI InChI=1S/C18H13ClN2O5/c19-17-13-8-11(26-10-4-2-1-3-5-10)6-7-12(13)16(24)15(21-17)18(25)20-9-14(22)23/h1-8,24H,9H2,(H,20,25)(H,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286251
PNG
(CHEMBL4167844)
Show SMILES Cl.CCCCCc1cn2ncnc2c(C(=O)NCC(O)=O)c1O
Show InChI InChI=1S/C14H18N4O4/c1-2-3-4-5-9-7-18-13(16-8-17-18)11(12(9)21)14(22)15-6-10(19)20/h7-8,21H,2-6H2,1H3,(H,15,22)(H,19,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286246
PNG
(CHEMBL4159695)
Show SMILES OC(=O)CNC(=O)c1c(O)ccc2ccnn12
Show InChI InChI=1S/C10H9N3O4/c14-7-2-1-6-3-4-12-13(6)9(7)10(17)11-5-8(15)16/h1-4,14H,5H2,(H,11,17)(H,15,16)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286249
PNG
(CHEMBL4159929)
Show SMILES Cl.CCc1c(O)c(C(=O)NCC(O)=O)c2ncnn2c1CC
Show InChI InChI=1S/C13H16N4O4/c1-3-7-8(4-2)17-12(15-6-16-17)10(11(7)20)13(21)14-5-9(18)19/h6,20H,3-5H2,1-2H3,(H,14,21)(H,18,19)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50286229
PNG
(CHEMBL4167612)
Show SMILES OC(=O)CNC(=O)c1c(O)ccn2ccnc12
Show InChI InChI=1S/C10H9N3O4/c14-6-1-3-13-4-2-11-9(13)8(6)10(17)12-5-7(15)16/h1-4,14H,5H2,(H,12,17)(H,15,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens)
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2A6 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at holding potential of -80 mV by whole cell patch clamp method


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midozolam as substrate by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5)


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A5 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50286071
PNG
(CHEMBL4166742)
Show SMILES Cl.OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
Show InChI InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10,22H,6-7,9H2,(H,18,25)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis


ACS Med Chem Lett 8: 1320-1325 (2017)


BindingDB Entry DOI: 10.7270/Q21N83N8
More data for this
Ligand-Target Pair
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288019
PNG
(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
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+
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US Patent
n/an/an/an/a 3.10n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288020
PNG
(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
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-
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n/an/an/an/a 4.20n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288021
PNG
(US10087178, Example 3)
Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
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-
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n/an/an/an/a 3.20n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288022
PNG
(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
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-
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n/an/an/an/a 2.90n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288023
PNG
(US10087178, Example 5)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11CC(C1)OC)C(=O)NCc1cccc(Cl)c1F
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-
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n/an/an/an/a 2.90n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288024
PNG
(US10087178, Example 6)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F
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+
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n/an/an/an/a 2n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288025
PNG
(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
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-
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n/an/an/an/a 5n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288027
PNG
(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
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-
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n/an/an/an/a 8.10n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288028
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.60n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288029
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.60n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288030
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.80n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288031
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288032
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.40n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288033
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.10n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288030
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.20n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288031
PNG
(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
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.10n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288036
PNG
(US10087178, Example 17)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1cccc(Cl)c1F
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
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.40n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 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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