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PubChem AID 434976

Compile data set for download or QSAR
Found 77 hits of Enzyme Inhibition Constant Data   
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
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51208
PNG
((4-nitrobenzofurazan-5-yl)amine | 4-nitro-2,1,3-be...)
Show SMILES Nc1ccc2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C6H4N4O3/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H,7H2
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n/an/a 690n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50181
PNG
(1-{[4-(dimethylamino)phenyl]amino}-3-methyl-3H-nap...)
Show SMILES CN(C)c1ccc(Nc2c3-c4ccccc4C(=O)c4cccc(n(C)c2=O)c34)cc1
Show InChI InChI=1S/C25H21N3O2/c1-27(2)16-13-11-15(12-14-16)26-23-22-17-7-4-5-8-18(17)24(29)19-9-6-10-20(21(19)22)28(3)25(23)30/h4-14,26H,1-3H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM64781
PNG
(4-[[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazi...)
Show SMILES Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1
Show InChI InChI=1S/C19H24N6O/c26-16-7-5-15(6-8-16)14-20-23-17-13-18(24-9-1-2-10-24)22-19(21-17)25-11-3-4-12-25/h5-8,13,26H,1-4,9-12,14H2
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n/an/a 1.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM52393
PNG
((2Z)-2-(nitromethylene)-3-phenyl-thiazolidin-4-one...)
Show SMILES [O-][N+](=O)\C=C1/SCC(=O)N1c1ccccc1
Show InChI InChI=1S/C10H8N2O3S/c13-9-7-16-10(6-11(14)15)12(9)8-4-2-1-3-5-8/h1-6H,7H2/b10-6-
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n/an/a 3.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51118
PNG
(2-[3-(2-amino-5-bromo-phenyl)-2-keto-quinoxalin-1-...)
Show SMILES CCOC(=O)Cn1c2ccccc2nc(-c2cc(Br)ccc2N)c1=O
Show InChI InChI=1S/C18H16BrN3O3/c1-2-25-16(23)10-22-15-6-4-3-5-14(15)21-17(18(22)24)12-9-11(19)7-8-13(12)20/h3-9H,2,10,20H2,1H3
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n/an/a 4.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51067
PNG
(3-aminobenzoic acid [2-[(9,10-diketo-1-anthryl)ami...)
Show SMILES Nc1cccc(c1)C(=O)OCC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C23H16N2O5/c24-14-6-3-5-13(11-14)23(29)30-12-19(26)25-18-10-4-9-17-20(18)22(28)16-8-2-1-7-15(16)21(17)27/h1-11H,12,24H2,(H,25,26)
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n/an/a 5.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51301
PNG
(5-chloranyl-N-(6-methoxypyridin-3-yl)thiophene-2-s...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
Show InChI InChI=1S/C10H9ClN2O3S2/c1-16-9-4-2-7(6-12-9)13-18(14,15)10-5-3-8(11)17-10/h2-6,13H,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51288
PNG
(MLS000768263 | N-(3-Butyl-2,4-dioxo-1,2,3,4-tetrah...)
Show SMILES CCCCn1c(=O)[nH]c2nc3cc(NC(C)=O)ccc3nc2c1=O
Show InChI InChI=1S/C16H17N5O3/c1-3-4-7-21-15(23)13-14(20-16(21)24)19-12-8-10(17-9(2)22)5-6-11(12)18-13/h5-6,8H,3-4,7H2,1-2H3,(H,17,22)(H,19,20,24)
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n/an/a 6.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM53371
PNG
(MLS001097825 | N-(6-amino-1-isobutyl-2,4-diketo-py...)
Show SMILES CCCCN(C(=O)c1ccc(o1)[N+]([O-])=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H23N5O6/c1-4-5-8-20(16(24)11-6-7-12(28-11)22(26)27)13-14(18)21(9-10(2)3)17(25)19-15(13)23/h6-7,10H,4-5,8-9,18H2,1-3H3,(H,19,23,25)
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n/an/a 7.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM31709
PNG
(4-amino-2-phenyl-isoindoline-1,3-quinone | 4-amino...)
Show SMILES Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c15-11-8-4-7-10-12(11)14(18)16(13(10)17)9-5-2-1-3-6-9/h1-8H,15H2
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n/an/a 7.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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n/an/a 8.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67453
PNG
(MLS002276353 | SMR001317988 | cid_44202984)
Show SMILES Nc1ncc[nH]1.CC(CCC(C)C(C)(C)C)[C@@H]1CC[C@H]2C3C[C@H](OS(O)(=S)=S)[C@H]4C[C@H](OS(O)(=S)=S)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=S)=S
Show InChI InChI=1S/C29H52O6S9.C3H5N3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(33-42(30,36)37)23-15-25(34-43(31,38)39)26(35-44(32,40)41)16-29(23,7)22(19)12-13-28(20,21)6;4-3-5-1-2-6-3/h17-26H,8-16H2,1-7H3,(H,30,36,37)(H,31,38,39)(H,32,40,41);1-2H,(H3,4,5,6)/t17?,18?,19?,20-,21-,22-,23+,24-,25-,26-,28+,29+;/m0./s1
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n/an/a 8.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67448
PNG
(MLS001142046 | N-(6-amino-1-benzyl-2,4-diketo-pyri...)
Show SMILES CC(C)CCN(C(=O)CCCSc1nc2ccccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C27H32N6O3S/c1-18(2)14-15-32(22(34)13-8-16-37-26-29-20-11-6-7-12-21(20)30-26)23-24(28)33(27(36)31-25(23)35)17-19-9-4-3-5-10-19/h3-7,9-12,18H,8,13-17,28H2,1-2H3,(H,29,30)(H,31,35,36)
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n/an/a>8.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67451
PNG
(2-(4-amino-1,3-diketo-isoindolin-2-yl)-N-cyclohexy...)
Show SMILES CN(C1CCCCC1)C(=O)CN1C(=O)c2cccc(N)c2C1=O
Show InChI InChI=1S/C17H21N3O3/c1-19(11-6-3-2-4-7-11)14(21)10-20-16(22)12-8-5-9-13(18)15(12)17(20)23/h5,8-9,11H,2-4,6-7,10,18H2,1H3
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n/an/a>8.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67424
PNG
((6E)-2-allyl-6-[[(3,5-dimethyl-1,2,4-triazol-4-yl)...)
Show SMILES Cc1nnc(C)n1N=Cc1cccc(CC=C)c1O
Show InChI InChI=1S/C14H16N4O/c1-4-6-12-7-5-8-13(14(12)19)9-15-18-10(2)16-17-11(18)3/h4-5,7-9,19H,1,6H2,2-3H3
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n/an/a>8.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM53055
PNG
(1-[Bis-(2-hydroxy-ethyl)-amino]-anthraquinone | 1-...)
Show SMILES OCCN(CCO)c1cccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C18H17NO4/c20-10-8-19(9-11-21)15-7-3-6-14-16(15)18(23)13-5-2-1-4-12(13)17(14)22/h1-7,20-21H,8-11H2
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n/an/a 8.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51287
PNG
((3-aminophenazin-2-yl)amine | MLS001044416 | SMR00...)
Show SMILES Nc1cc2nc3ccccc3nc2cc1N
Show InChI InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2
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n/an/a 9.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32001
PNG
(7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid | 7-...)
Show SMILES OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
Show InChI InChI=1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)
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n/an/a 9.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51019
PNG
(4-methyl-7-benzo[a]phenalenone | 4-methyl-7H-benzo...)
Show SMILES Cc1ccc2C(=O)c3ccccc3-c3cccc1c23
Show InChI InChI=1S/C18H12O/c1-11-9-10-16-17-12(11)7-4-8-14(17)13-5-2-3-6-15(13)18(16)19/h2-10H,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67441
PNG
(4-(3-methyl-1-pyridin-1-iumyl)-5-[[(4-nitrophenyl)...)
Show SMILES Cc1ccc[n+](c1)-c1[n-]c(=O)sc1CN=Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N5O3S/c1-11-3-2-8-20(10-11)15-14(25-16(22)18-15)9-17-19-12-4-6-13(7-5-12)21(23)24/h2-8,10H,9H2,1H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67428
PNG
((E)-2-cyano-3-(2-nitrophenyl)-N-prop-2-enyl-2-prop...)
Show SMILES [O-][N+](=O)c1ccccc1\C=C(/C#N)C(=O)NCC=C
Show InChI InChI=1S/C13H11N3O3/c1-2-7-15-13(17)11(9-14)8-10-5-3-4-6-12(10)16(18)19/h2-6,8H,1,7H2,(H,15,17)/b11-8+
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50919
PNG
(2-methoxyethyl 4-amino-3-(2-methoxyethyl)-2-sulfan...)
Show SMILES COCCOC(=O)c1sc(=S)n(CCOC)c1N
Show InChI InChI=1S/C10H16N2O4S2/c1-14-4-3-12-8(11)7(18-10(12)17)9(13)16-6-5-15-2/h3-6,11H2,1-2H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM52936
PNG
(1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)ur...)
Show SMILES COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1
Show InChI InChI=1S/C15H17N3O2/c1-10-6-11(2)8-13(7-10)18-15(19)17-12-4-5-14(20-3)16-9-12/h4-9H,1-3H3,(H2,17,18,19)
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50926
PNG
(4,8-dimethylcyclopenta[c]quinolizine-1,2-dicarboxy...)
Show SMILES COC(=O)c1cc2c(C)cc3ccc(C)cn3c2c1C(=O)OC
Show InChI InChI=1S/C18H17NO4/c1-10-5-6-12-7-11(2)13-8-14(17(20)22-3)15(18(21)23-4)16(13)19(12)9-10/h5-9H,1-4H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM82038
PNG
(Alloxazine | CAS_490-59-5 | CHEMBL68500 | NSC_9925...)
Show SMILES O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
Show InChI InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
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n/an/a 1.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67442
PNG
(3-hydroxy-1-phenalenone | 3-hydroxy-1H-phenalen-1-...)
Show SMILES O=C1CC(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C13H8O2/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-6H,7H2
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67444
PNG
(3-(benzenesulfonyl)-7-hydroxy-8-methyl-1-benzopyra...)
Show SMILES Cc1c(O)ccc2cc(c(=O)oc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H12O5S/c1-10-13(17)8-7-11-9-14(16(18)21-15(10)11)22(19,20)12-5-3-2-4-6-12/h2-9,17H,1H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51234
PNG
(MLS001029970 | SMR000426980 | cid_1961333)
Show SMILES Cn1c2ccc(N3CCCCC3)c3C(=O)c4ccccc4-c(cc1=O)c23
Show InChI InChI=1S/C22H20N2O2/c1-23-17-9-10-18(24-11-5-2-6-12-24)21-20(17)16(13-19(23)25)14-7-3-4-8-15(14)22(21)26/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50757
PNG
(6-methoxy-2-(1-piperidinyl)-3-quinolinecarbonitril...)
Show SMILES COc1ccc2nc(N3CCCCC3)c(cc2c1)C#N
Show InChI InChI=1S/C16H17N3O/c1-20-14-5-6-15-12(10-14)9-13(11-17)16(18-15)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67439
PNG
(MLS001044354 | N-(2-phenazinyl)acetamide | N-Phena...)
Show SMILES CC(=O)Nc1ccc2nc3ccccc3nc2c1
Show InChI InChI=1S/C14H11N3O/c1-9(18)15-10-6-7-13-14(8-10)17-12-5-3-2-4-11(12)16-13/h2-8H,1H3,(H,15,18)
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n/an/a 1.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67420
PNG
(1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone | ...)
Show SMILES CC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C17H17N3O/c1-12(21)19-8-10-20(11-9-19)17-14-6-2-4-13-5-3-7-15(18-17)16(13)14/h2-7H,8-11H2,1H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67437
PNG
(2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g][1]...)
Show SMILES COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12
Show InChI InChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67452
PNG
(5-(4-acetylphenyl)-N-(6-methoxy-3-pyridinyl)-2-fur...)
Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(C)=O)cn1
Show InChI InChI=1S/C19H16N2O4/c1-12(22)13-3-5-14(6-4-13)16-8-9-17(25-16)19(23)21-15-7-10-18(24-2)20-11-15/h3-11H,1-2H3,(H,21,23)
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n/an/a 1.64E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM52859
PNG
((4Z)-2-ethyl-4-(2-thenylidene)-1,3-dihydrobenzo[b]...)
Show SMILES CCN1C\C(=C\c2cccs2)c2nc3ccccc3c(C(O)=O)c2C1
Show InChI InChI=1S/C20H18N2O2S/c1-2-22-11-13(10-14-6-5-9-25-14)19-16(12-22)18(20(23)24)15-7-3-4-8-17(15)21-19/h3-10H,2,11-12H2,1H3,(H,23,24)/b13-10-
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n/an/a 1.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67434
PNG
(4-amino-2-(3-chlorobenzyl)isoindoline-1,3-quinone ...)
Show SMILES Nc1cccc2C(=O)N(Cc3cccc(Cl)c3)C(=O)c12
Show InChI InChI=1S/C15H11ClN2O2/c16-10-4-1-3-9(7-10)8-18-14(19)11-5-2-6-12(17)13(11)15(18)20/h1-7H,8,17H2
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n/an/a 1.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67436
PNG
(4-(2-benzo[cd]indolyl)-2,6-dimethylmorpholine | 4-...)
Show SMILES CC1CN(CC(C)O1)C1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C17H18N2O/c1-11-9-19(10-12(2)20-11)17-14-7-3-5-13-6-4-8-15(18-17)16(13)14/h3-8,11-12H,9-10H2,1-2H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51283
PNG
((1R,2R,3R,8aS)-6-Acetyl-3-carbamoyl-1-cyano-2-(4-f...)
Show SMILES COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(F)cc1)C(N)=O)C(C)=O
Show InChI InChI=1S/C20H18FN3O4/c1-11(25)13-5-8-15-20(10-22,19(27)28-2)16(12-3-6-14(21)7-4-12)17(18(23)26)24(15)9-13/h3-9,15-17H,1-2H3,(H2,23,26)/t15-,16-,17+,20-/m0/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32120
PNG
(2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]m...)
Show SMILES COc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2ccccn2)c(C)o1
Show InChI InChI=1S/C20H21N3O4S/c1-14-18(23-20(27-14)15-6-8-17(26-2)9-7-15)12-28(25)13-19(24)22-11-16-5-3-4-10-21-16/h3-10H,11-13H2,1-2H3,(H,22,24)
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n/an/a 1.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67429
PNG
((1-methylbenzimidazol-2-yl)methyl-[4-[4-(p-tolyl)p...)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1ccc(NCc2nc3ccccc3n2C)cc1
Show InChI InChI=1S/C26H29N5/c1-20-7-11-22(12-8-20)30-15-17-31(18-16-30)23-13-9-21(10-14-23)27-19-26-28-24-5-3-4-6-25(24)29(26)2/h3-14,27H,15-19H2,1-2H3
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n/an/a 1.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32076
PNG
(1-ethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]b...)
Show SMILES CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C15H16N4O2S/c1-3-19-12-5-4-10(14(20)21)8-11(12)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,3,9H2,1-2H3,(H,20,21)
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n/an/a 1.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50755
PNG
(4-(3-Cyano-6-ethoxy-quinolin-2-yl)-[1,4]diazepane-...)
Show SMILES CCOc1ccc2nc(N3CCCN(CC3)C(=O)Nc3ccccc3C)c(cc2c1)C#N
Show InChI InChI=1S/C25H27N5O2/c1-3-32-21-9-10-23-19(16-21)15-20(17-26)24(27-23)29-11-6-12-30(14-13-29)25(31)28-22-8-5-4-7-18(22)2/h4-5,7-10,15-16H,3,6,11-14H2,1-2H3,(H,28,31)
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n/an/a 2.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67445
PNG
(2-(4-Hydroxyphenylazo)benzoic acid | 2-[2-(4-oxida...)
Show SMILES OC(=O)c1ccccc1N=Nc1ccc(O)cc1
Show InChI InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)
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n/an/a 2.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67447
PNG
(MLS001125706 | N-[[5-(4-bromanyl-2-nitro-phenyl)fu...)
Show SMILES Cc1ccc(o1)C(=O)N\N=C\c1ccc(o1)-c1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H12BrN3O5/c1-10-2-6-16(25-10)17(22)20-19-9-12-4-7-15(26-12)13-5-3-11(18)8-14(13)21(23)24/h2-9H,1H3,(H,20,22)/b19-9+
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n/an/a>2.51E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67433
PNG
(MLS001004132 | N-(6-methoxy-3-pyridinyl)-2-phenyla...)
Show SMILES COc1ccc(NC(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C14H14N2O2/c1-18-14-8-7-12(10-15-14)16-13(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,17)
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n/an/a>2.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM52200
PNG
(2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol...)
Show SMILES ClC1=CCC2C(C1)C(=O)N(CC(=O)NCc1ccccc1)C2=O
Show InChI InChI=1S/C17H17ClN2O3/c18-12-6-7-13-14(8-12)17(23)20(16(13)22)10-15(21)19-9-11-4-2-1-3-5-11/h1-6,13-14H,7-10H2,(H,19,21)
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n/an/a 2.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51704
PNG
((2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C25H18F3NO6S/c1-15-7-10-18(11-8-15)36(32,33)29-23(16-5-3-2-4-6-16)24(31)34-17-9-12-19-20(25(26,27)28)14-22(30)35-21(19)13-17/h2-14,23,29H,1H3/t23-/m0/s1
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n/an/a 2.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67438
PNG
(2-Morpholin-4-yl-benzo[cd]indole | 4-(2-benzo[cd]i...)
Show SMILES C1CN(CCO1)C1=Nc2cccc3cccc1c23
Show InChI InChI=1S/C15H14N2O/c1-3-11-4-2-6-13-14(11)12(5-1)15(16-13)17-7-9-18-10-8-17/h1-6H,7-10H2
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n/an/a 2.92E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM53372
PNG
(MLS001099293 | N-(6-amino-2,4-diketo-1-propyl-pyri...)
Show SMILES CCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H29N5O7S2/c1-3-6-25-18(21)17(19(27)22-20(25)28)24(9-10-31-2)15(26)13-14-4-5-16(33-14)34(29,30)23-7-11-32-12-8-23/h4-5H,3,6-13,21H2,1-2H3,(H,22,27,28)
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n/an/a 3.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67421
PNG
((3,4-Dimethoxy-benzylidene)-(2-furan-2-yl-imidazo[...)
Show SMILES COc1ccc(C=Nc2c(nc3ccccn23)-c2ccco2)cc1OC
Show InChI InChI=1S/C20H17N3O3/c1-24-15-9-8-14(12-17(15)25-2)13-21-20-19(16-6-5-11-26-16)22-18-7-3-4-10-23(18)20/h3-13H,1-2H3
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n/an/a 5.61E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67449
PNG
(2-(2,4-diketo-1,3-diazaspiro[4.5]decan-3-yl)acetic...)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc12
Show InChI InChI=1S/C20H17F3N2O6/c21-20(22,23)13-9-15(26)31-14-8-11(4-5-12(13)14)30-16(27)10-25-17(28)19(24-18(25)29)6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2,(H,24,29)
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n/an/a 6.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67418
PNG
(2-(4-Hydroxy-piperidin-1-yl)-6-methoxy-quinoline-3...)
Show SMILES COc1ccc2nc(N3CCC(O)CC3)c(cc2c1)C#N
Show InChI InChI=1S/C16H17N3O2/c1-21-14-2-3-15-11(9-14)8-12(10-17)16(18-15)19-6-4-13(20)5-7-19/h2-3,8-9,13,20H,4-7H2,1H3
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n/an/a 6.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67443
PNG
((6E)-6-[[(5-amino-1-tetrazolyl)amino]methylidene]-...)
Show SMILES Nc1nnnn1N=Cc1cc(Cl)ccc1O
Show InChI InChI=1S/C8H7ClN6O/c9-6-1-2-7(16)5(3-6)4-11-15-8(10)12-13-14-15/h1-4,16H,(H2,10,12,14)
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n/an/a>7.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67435
PNG
((E)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-metho...)
Show SMILES COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1O
Show InChI InChI=1S/C18H15NO4S/c1-23-15-7-6-11(9-14(15)20)8-12(10-17(21)22)18-19-13-4-2-3-5-16(13)24-18/h2-9,20H,10H2,1H3,(H,21,22)/b12-8+
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50847
PNG
(6-(3-hydroxypropyl)-2,3-dihydro-[1,4]dithiino[2,3-...)
Show SMILES OCCCN1C(=O)C2=C(SCCS2)C1=O
Show InChI InChI=1S/C9H11NO3S2/c11-3-1-2-10-8(12)6-7(9(10)13)15-5-4-14-6/h11H,1-5H2
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM51080
PNG
(4-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]-1...)
Show SMILES CCOC(=O)c1[nH]cnc1N=Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C16H14N4O3/c1-2-23-16(22)14-15(18-9-17-14)20-19-13-11-6-4-3-5-10(11)7-8-12(13)21/h3-9,21H,2H2,1H3,(H,17,18)
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67430
PNG
(2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pheny...)
Show SMILES Cc1oc2c(cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H22N2O4S/c1-17-12-14-20(15-13-17)34(31,32)29-24-16-23-25(27(30)28-19-8-4-3-5-9-19)18(2)33-26(23)22-11-7-6-10-21(22)24/h3-16,29H,1-2H3,(H,28,30)
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67426
PNG
(1-[(Benzyl-phenyl-carbamoyl)-methyl]-4-methyl-1,4-...)
Show SMILES CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-3-31-25(30)23-16-22-21(14-15-26(22)2)28(23)18-24(29)27(20-12-8-5-9-13-20)17-19-10-6-4-7-11-19/h4-16H,3,17-18H2,1-2H3
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM44010
PNG
(7-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sul...)
Show SMILES COc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
Show InChI InChI=1S/C16H13N5O2S3/c1-23-12-4-2-10(3-5-12)17-14-19-20-16(26-14)25-9-11-8-13(22)21-6-7-24-15(21)18-11/h2-8H,9H2,1H3,(H,17,19)
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32018
PNG
(1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...)
Show SMILES CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
Show InChI InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67440
PNG
(4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyclopenty...)
Show SMILES CCOc1cc(cc(Br)c1O)C1C(=CN(C=C1C(=O)OC)C1CCCC1)C(=O)OC
Show InChI InChI=1S/C22H26BrNO6/c1-4-30-18-10-13(9-17(23)20(18)25)19-15(21(26)28-2)11-24(14-7-5-6-8-14)12-16(19)22(27)29-3/h9-12,14,19,25H,4-8H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM33201
PNG
(2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione | ...)
Show SMILES CC1=CC(=O)c2c(O)ccc(O)c2C1=O
Show InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM52490
PNG
(MLS000574936 | SMR000156318 | cid_284998)
Show SMILES COc1cc2C(=O)c3nccc4c(OC)c(OC)c(OC)c(-c2cc1OC)c34
Show InChI InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67427
PNG
(MLS000374660 | N,N-diethyl-3-[(4-fluorophenyl)sulf...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C20H26FN3O4S2/c1-3-24(4-2)30(27,28)18-11-12-20(23-13-5-6-14-23)19(15-18)22-29(25,26)17-9-7-16(21)8-10-17/h7-12,15,22H,3-6,13-14H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67423
PNG
((4-chlorobenzylidene)-[2-(2-furyl)imidazo[1,2-a]py...)
Show SMILES Clc1ccc(C=Nc2c(nc3ccccn23)-c2ccco2)cc1
Show InChI InChI=1S/C18H12ClN3O/c19-14-8-6-13(7-9-14)12-20-18-17(15-4-3-11-23-15)21-16-5-1-2-10-22(16)18/h1-12H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32108
PNG
(6-keto-7,8,9,10-tetrahydrophenothiazine-3-carboxyl...)
Show SMILES COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1
Show InChI InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,13H,2-4H2,1H3
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50308
PNG
(1-amino-2-hydroxy-9,10-anthraquinone | 1-amino-2-h...)
Show SMILES Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-12-10(16)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6,16H,15H2
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM50094893
PNG
(1-Amino-4-hydroxy-anthraquinone | 1-hydroxy-4-amin...)
Show SMILES Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C14H9NO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H,15H2
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM52768
PNG
((5E)-4-(1,3-benzothiazol-2-yl)-5-(2-hydroxy-3-meth...)
Show SMILES Cc1c(O)ccc(-c2n[nH]c(C(O)=O)c2-c2nc3ccccc3s2)c1O
Show InChI InChI=1S/C18H13N3O4S/c1-8-11(22)7-6-9(16(8)23)14-13(15(18(24)25)21-20-14)17-19-10-4-2-3-5-12(10)26-17/h2-7,22-23H,1H3,(H,20,21)(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67425
PNG
(1-{[Benzyl-(4-fluoro-phenyl)-carbamoyl]-methyl}-4-...)
Show SMILES CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N(Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H24FN3O3/c1-3-32-25(31)23-15-22-21(13-14-27(22)2)29(23)17-24(30)28(16-18-7-5-4-6-8-18)20-11-9-19(26)10-12-20/h4-15H,3,16-17H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67422
PNG
(1-methyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]...)
Show SMILES CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O3/c1-3-33-22(32)20-14-19-18(7-8-27(19)2)30(20)15-21(31)29-11-9-28(10-12-29)17-6-4-5-16(13-17)23(24,25)26/h4-8,13-14H,3,9-12,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67419
PNG
(MLS000041097 | SMR000046340 | cid_665289)
Show SMILES CN1CC2=Cc3ccccc3OC22Oc3ccccc3C=C2C1
Show InChI InChI=1S/C20H17NO2/c1-21-12-16-10-14-6-2-4-8-18(14)22-20(16)17(13-21)11-15-7-3-5-9-19(15)23-20/h2-11H,12-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67454
PNG
(1,2,4-trihydroxy-9,10-anthraquinone | 1,2,4-trihyd...)
Show SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Show InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
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n/an/a>7.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67446
PNG
(5-Bromo-furan-2-carboxylic acid (5-methoxy-2-pyrro...)
Show SMILES COc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1
Show InChI InChI=1S/C16H17BrN2O3/c1-21-11-4-5-13(19-8-2-3-9-19)12(10-11)18-16(20)14-6-7-15(17)22-14/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM32074
PNG
(1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfa...)
Show SMILES CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67450
PNG
((E)-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenoi...)
Show SMILES CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)NCc1ccco1
Show InChI InChI=1S/C20H21N3O4/c1-14(19(24)22-13-18-5-4-10-26-18)27-20(25)16(12-21)11-15-6-8-17(9-7-15)23(2)3/h4-11,14H,13H2,1-3H3,(H,22,24)/b16-11+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67432
PNG
(3-(trifluoromethyl)-1H-benzo[g]quinoxalin-2-one | ...)
Show SMILES FC(F)(F)c1nc2cc3ccccc3cc2[nH]c1=O
Show InChI InChI=1S/C13H7F3N2O/c14-13(15,16)11-12(19)18-10-6-8-4-2-1-3-7(8)5-9(10)17-11/h1-6H,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 REV


(Human immunodeficiency virus 1)
BDBM67431
PNG
(2-(3-nitrophenyl)-3-imidazo[1,2-a]pyridinamine | 2...)
Show SMILES Nc1c(nc2ccccn12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10N4O2/c14-13-12(15-11-6-1-2-7-16(11)13)9-4-3-5-10(8-9)17(18)19/h1-8H,14H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29W0CZG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%