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PubChem AID 651937

Compile data set for download or QSAR
Found 95 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
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95307
PNG
(2-(4-Butyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyc...)
Show SMILES CCCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
Show InChI InChI=1S/C23H24N4O2S2/c1-2-3-9-17-15-7-4-8-16(15)19-20-21(31-22(19)27-17)23(26-13-25-20)30-12-18(28)24-11-14-6-5-10-29-14/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H,24,28)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95309
PNG
(5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-met...)
Show SMILES COc1ccc(cc1)-c1c(Sc2ccccc2)c2cc(ccc2n1C)-c1ccc2OCOc2c1
Show InChI InChI=1S/C29H23NO3S/c1-30-25-14-10-20(21-11-15-26-27(17-21)33-18-32-26)16-24(25)29(34-23-6-4-3-5-7-23)28(30)19-8-12-22(31-2)13-9-19/h3-17H,18H2,1-2H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95256
PNG
(2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...)
Show SMILES Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H19N3O2S/c1-14-23-19-16-9-5-6-10-17(16)26-20(19)21(24-14)27-13-18(25)22-12-11-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,22,25)
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n/an/a 2.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95266
PNG
((2E)-1-(4-methoxyphenyl)-2-(7-methyl-[1,3]dioxolo[...)
Show SMILES COc1ccc(cc1)C(=O)\C=C1\Sc2cc3OCOc3cc2N1C
Show InChI InChI=1S/C18H15NO4S/c1-19-13-7-15-16(23-10-22-15)9-17(13)24-18(19)8-14(20)11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3/b18-8+
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n/an/a 2.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95306
PNG
((6-oxidanylidenebenzo[c]chromen-3-yl) phenyl carbo...)
Show SMILES O=C(Oc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C20H12O5/c21-19-17-9-5-4-8-15(17)16-11-10-14(12-18(16)25-19)24-20(22)23-13-6-2-1-3-7-13/h1-12H
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95269
PNG
((3-besyltriazolo[1,5-a]quinazolin-5-yl)-(2,3-dimet...)
Show SMILES Cc1cccc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2ccccc2)c1C
Show InChI InChI=1S/C23H19N5O2S/c1-15-9-8-13-19(16(15)2)24-21-18-12-6-7-14-20(18)28-22(25-21)23(26-27-28)31(29,30)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,24,25)
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n/an/a 2.86E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95255
PNG
(2-amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piper...)
Show SMILES CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N
Show InChI InChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)
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n/an/a 3.44E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95248
PNG
(4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-py...)
Show SMILES CCOc1ccc(OCC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
Show InChI InChI=1S/C19H24N2O4/c1-6-24-14-8-9-16(25-7-2)15(10-14)21-19(23)18-11(3)17(13(5)22)12(4)20-18/h8-10,20H,6-7H2,1-5H3,(H,21,23)
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n/an/a 3.55E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95265
PNG
(2-(4-morpholinophenyl)quinoline | 4-(4-quinolin-2-...)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C19H18N2O/c1-2-4-18-15(3-1)7-10-19(20-18)16-5-8-17(9-6-16)21-11-13-22-14-12-21/h1-10H,11-14H2
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n/an/a 3.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM82724
PNG
(MLS000585398 | N-(2-ethylphenyl)-2-[2-(4-methoxyph...)
Show SMILES CCc1ccccc1NC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H23NO5/c1-3-17-6-4-5-7-22(17)27-26(29)16-31-20-12-13-24-21(14-20)23(28)15-25(32-24)18-8-10-19(30-2)11-9-18/h4-15H,3,16H2,1-2H3,(H,27,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95254
PNG
(1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methyl...)
Show SMILES Cc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3nsnc23)c1
Show InChI InChI=1S/C19H20N4O3S2/c1-13-5-2-7-15(11-13)20-19(24)14-6-4-10-23(12-14)28(25,26)17-9-3-8-16-18(17)22-27-21-16/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,20,24)
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n/an/a 3.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66673
PNG
(2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)
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n/an/a 4.38E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95289
PNG
(3-benzyl-8-(5-bromo-2-methoxy-phenyl)-7-methyl-xan...)
Show SMILES COc1ccc(Br)cc1-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
Show InChI InChI=1S/C20H17BrN4O3/c1-24-16-18(22-17(24)14-10-13(21)8-9-15(14)28-2)25(20(27)23-19(16)26)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,23,26,27)
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n/an/a 5.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95295
PNG
((4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)m...)
Show SMILES Fc1ccccc1C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1ccncc1
Show InChI InChI=1S/C25H19FN2O5/c26-18-4-2-1-3-17(18)22-21(23(29)16-5-6-19-20(13-16)33-12-11-32-19)24(30)25(31)28(22)14-15-7-9-27-10-8-15/h1-10,13,21-22H,11-12,14H2
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n/an/a 5.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95296
PNG
((4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodio...)
Show SMILES Brc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1CCCn1ccnc1
Show InChI InChI=1S/C25H22BrN3O5/c26-18-4-1-3-16(13-18)22-21(23(30)17-5-6-19-20(14-17)34-12-11-33-19)24(31)25(32)29(22)9-2-8-28-10-7-27-15-28/h1,3-7,10,13-15,21-22H,2,8-9,11-12H2
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n/an/a 5.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95245
PNG
(2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyri...)
Show SMILES CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N
Show InChI InChI=1S/C18H16N4O3S/c1-3-25-15(23)10-26-18-14(9-20)16(13(8-19)17(21)22-18)11-4-6-12(24-2)7-5-11/h4-7H,3,10H2,1-2H3,(H2,21,22)
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n/an/a 6.08E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM54995
PNG
(2,4-dimethoxy-N-[(2-oxidanylidene-1,3-dihydrobenzi...)
Show SMILES COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
Show InChI InChI=1S/C17H16N4O4S/c1-24-10-4-5-11(14(8-10)25-2)15(22)21-17(26)18-9-3-6-12-13(7-9)20-16(23)19-12/h3-8H,1-2H3,(H2,19,20,23)(H2,18,21,22,26)
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n/an/a 6.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95262
PNG
(10-(4-chlorophenyl)-8,9-dihydro-3H-cyclopenta[5...)
Show SMILES Clc1ccc(cc1)-c1c2CCCc2nc2sc3c([nH]cnc3=O)c12
Show InChI InChI=1S/C18H12ClN3OS/c19-10-6-4-9(5-7-10)13-11-2-1-3-12(11)22-18-14(13)15-16(24-18)17(23)21-8-20-15/h4-8H,1-3H2,(H,20,21,23)
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n/an/a 6.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM48988
PNG
(8-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiomorpholin-...)
Show SMILES O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C22H26N6O3S/c29-22-16(11-14-12-18-19(13-17(14)23-22)31-8-7-30-18)20(27-5-9-32-10-6-27)21-24-25-26-28(21)15-3-1-2-4-15/h11-13,15,20H,1-10H2,(H,23,29)
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n/an/a 7.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95301
PNG
(MLS001099087 | N-(4-cyanophenyl)-1-(5,6-dimethyl-4...)
Show SMILES Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C#N)c2c1C
Show InChI InChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)
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n/an/a 8.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95297
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-(6-methoxy-1H-indo...)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H18N2O2/c1-23-16-7-6-14-10-18(20-17(14)11-16)19(22)21-9-8-13-4-2-3-5-15(13)12-21/h2-7,10-11,20H,8-9,12H2,1H3
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n/an/a 8.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95298
PNG
(MLS001159132 | SMR000651457 | cid_17581362)
Show SMILES COc1cccc(NC(=O)Cn2c3ccc(OC)cc3c3nc4SCCn4c(=O)c23)c1
Show InChI InChI=1S/C22H20N4O4S/c1-29-14-5-3-4-13(10-14)23-18(27)12-26-17-7-6-15(30-2)11-16(17)19-20(26)21(28)25-8-9-31-22(25)24-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,27)
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n/an/a 8.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95283
PNG
(2,4-dimethoxy-N-[5-(phenylmethyl)-1,3,4-thiadiazol...)
Show SMILES COc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c(OC)c1
Show InChI InChI=1S/C18H17N3O3S/c1-23-13-8-9-14(15(11-13)24-2)17(22)19-18-21-20-16(25-18)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,19,21,22)
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n/an/a 1.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95257
PNG
(MLS000566665 | N-(5-benzylsulfanyl-1,3,4-thiadiazo...)
Show SMILES O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2CCCCc2s1
Show InChI InChI=1S/C18H17N3OS3/c22-16(15-10-13-8-4-5-9-14(13)24-15)19-17-20-21-18(25-17)23-11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95276
PNG
(6-[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]-4H-1,4-b...)
Show SMILES CCC(=O)c1ccc(OCC(=O)c2ccc3OCC(=O)Nc3c2)cc1
Show InChI InChI=1S/C19H17NO5/c1-2-16(21)12-3-6-14(7-4-12)24-10-17(22)13-5-8-18-15(9-13)20-19(23)11-25-18/h3-9H,2,10-11H2,1H3,(H,20,23)
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n/an/a 1.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95304
PNG
(2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl-methyl...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1)C(=O)COc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C20H19BrN4O3/c1-13-3-6-15(7-4-13)24-18(26)10-25(2)19(27)11-28-20-16-9-14(21)5-8-17(16)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,24,26)
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n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM30906
PNG
(2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...)
Show SMILES COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
Show InChI InChI=1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95308
PNG
(5-(3,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1-...)
Show SMILES COc1cc(OC)cc(c1)-c1c(Sc2ccccc2)c2cc(ccc2n1C)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C31H29NO4S/c1-32-27-13-11-20(21-12-14-28(35-4)29(18-21)36-5)17-26(27)31(37-25-9-7-6-8-10-25)30(32)22-15-23(33-2)19-24(16-22)34-3/h6-19H,1-5H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66937
PNG
(MLS001140217 | SMR000650860 | cid_4890916)
Show SMILES Clc1cccc(NC(=O)Cn2cnc3c4cc5CCCCc5nc4oc3c2=O)c1
Show InChI InChI=1S/C21H17ClN4O3/c22-13-5-3-6-14(9-13)24-17(27)10-26-11-23-18-15-8-12-4-1-2-7-16(12)25-20(15)29-19(18)21(26)28/h3,5-6,8-9,11H,1-2,4,7,10H2,(H,24,27)
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95261
PNG
(2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyrid...)
Show SMILES COCc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2Cl)c(=O)c1C#N
Show InChI InChI=1S/C17H15Cl2N3O3/c1-10-5-11(9-25-2)13(7-20)17(24)22(10)8-16(23)21-15-4-3-12(18)6-14(15)19/h3-6H,8-9H2,1-2H3,(H,21,23)
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n/an/a 1.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95291
PNG
(2-fluoranyl-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol...)
Show SMILES Fc1ccccc1C(=O)Nc1nnc(s1)-c1ccccc1F
Show InChI InChI=1S/C15H9F2N3OS/c16-11-7-3-1-5-9(11)13(21)18-15-20-19-14(22-15)10-6-2-4-8-12(10)17/h1-8H,(H,18,20,21)
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95260
PNG
(MLS000537583 | N-(5-benzoyl-4-phenyl-2-thiazolyl)c...)
Show SMILES COC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O3S/c1-23-18(22)20-17-19-14(12-8-4-2-5-9-12)16(24-17)15(21)13-10-6-3-7-11-13/h2-11H,1H3,(H,19,20,22)
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n/an/a 1.52E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95250
PNG
(MLS000065772 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)c2cc3CCCCc3s2)s1
Show InChI InChI=1S/C13H15N3OS3/c1-2-18-13-16-15-12(20-13)14-11(17)10-7-8-5-3-4-6-9(8)19-10/h7H,2-6H2,1H3,(H,14,15,17)
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n/an/a 1.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66270
PNG
(3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
Show InChI InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
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n/an/a 1.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95263
PNG
(2-(5,6-Dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-...)
Show SMILES CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
Show InChI InChI=1S/C17H21N5OS3/c1-5-7-11-18-15(14-9(3)10(4)25-16(14)19-11)24-8-12(23)20-17-22-21-13(6-2)26-17/h5-8H2,1-4H3,(H,20,22,23)
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n/an/a 1.72E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95252
PNG
(MLS000529842 | N-[2-(2-methyl-1-indolyl)ethyl]cycl...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)C1CCCCC1
Show InChI InChI=1S/C18H24N2O/c1-14-13-16-9-5-6-10-17(16)20(14)12-11-19-18(21)15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,21)
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n/an/a 1.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM42302
PNG
(MLS000041013 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
Show InChI InChI=1S/C21H17N3O4S/c1-12-22-19-14-4-2-3-5-15(14)28-20(19)21(23-12)29-11-18(25)24-13-6-7-16-17(10-13)27-9-8-26-16/h2-7,10H,8-9,11H2,1H3,(H,24,25)
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n/an/a 1.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95271
PNG
(MLS000662097 | N-(2,4-dimethoxyphenyl)-2-[(N-isobu...)
Show SMILES COc1ccc(NC(=O)c2c(NC(=O)CNCC(C)C)sc3CCCc23)c(OC)c1
Show InChI InChI=1S/C22H29N3O4S/c1-13(2)11-23-12-19(26)25-22-20(15-6-5-7-18(15)30-22)21(27)24-16-9-8-14(28-3)10-17(16)29-4/h8-10,13,23H,5-7,11-12H2,1-4H3,(H,24,27)(H,25,26)
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95292
PNG
(5-(4-bromophenyl)-1-methyl-2,4-dioxo-7-pyrido[2,3-...)
Show SMILES COC(=O)c1cc(-c2ccc(Br)cc2)c2c(n1)n(C)c(=O)[nH]c2=O
Show InChI InChI=1S/C16H12BrN3O4/c1-20-13-12(14(21)19-16(20)23)10(7-11(18-13)15(22)24-2)8-3-5-9(17)6-4-8/h3-7H,1-2H3,(H,19,21,23)
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n/an/a 1.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95273
PNG
(6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-q...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
Show InChI InChI=1S/C22H25BrN4O4S2/c23-16-7-10-19-18(14-16)21(29)27(22(32)26-19)13-3-1-2-4-20(28)25-12-11-15-5-8-17(9-6-15)33(24,30)31/h5-10,14H,1-4,11-13H2,(H,25,28)(H,26,32)(H2,24,30,31)
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n/an/a 2.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95249
PNG
(MLS000086249 | N-(2-chloranyl-4-fluoranyl-phenyl)-...)
Show SMILES Fc1ccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c(Cl)c1
Show InChI InChI=1S/C20H17ClFN3O2/c21-15-11-13(22)6-8-16(15)24-19(26)12-5-7-14-17(10-12)23-18-4-2-1-3-9-25(18)20(14)27/h5-8,10-11H,1-4,9H2,(H,24,26)
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n/an/a 2.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM68189
PNG
(5-(6-methyl-2-imidazo[1,2-a]pyridinyl)-3-phenyliso...)
Show SMILES Cc1ccc2nc(cn2c1)-c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-12-7-8-17-18-15(11-20(17)10-12)16-9-14(19-21-16)13-5-3-2-4-6-13/h2-11H,1H3
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n/an/a 2.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95259
PNG
(3,4-dimethyl-2-(4-methylphenyl)-2,6-dihydro-7H-pyr...)
Show SMILES Cc1n(nc2c1c(C)n[nH]c2=S)-c1ccc(C)cc1
Show InChI InChI=1S/C14H14N4S/c1-8-4-6-11(7-5-8)18-10(3)12-9(2)15-16-14(19)13(12)17-18/h4-7H,1-3H3,(H,16,19)
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n/an/a 2.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95288
PNG
(6-fluoranyl-3-[(2-methoxyphenyl)methyl]-2-sulfanyl...)
Show SMILES COc1ccccc1Cn1c(=S)[nH]c2ccc(F)cc2c1=O
Show InChI InChI=1S/C16H13FN2O2S/c1-21-14-5-3-2-4-10(14)9-19-15(20)12-8-11(17)6-7-13(12)18-16(19)22/h2-8H,9H2,1H3,(H,18,22)
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n/an/a 2.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM54989
PNG
(2-(phenylmethyl)-1H-quinazoline-4-thione | 2-benzy...)
Show SMILES S=c1[nH]c(Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C15H12N2S/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
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n/an/a 2.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
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n/an/a 2.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95268
PNG
(6-Methyl-9H-2,4,9-triaza-fluorene-1-thiol | 8-meth...)
Show SMILES Cc1ccc2[nH]c3c(nc[nH]c3=S)c2c1
Show InChI InChI=1S/C11H7N3S/c1-6-2-3-8-7(4-6)9-10(14-8)11(15)13-5-12-9/h2-5H,1H3
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n/an/a 2.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM37158
PNG
(MLS000119034 | N-(5-ethylsulfanyl-1,3,4-thiadiazol...)
Show SMILES CCSc1nnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1
Show InChI InChI=1S/C17H18N4OS2/c1-2-23-17-20-19-16(24-17)18-15(22)14(21-10-6-7-11-21)12-13-8-4-3-5-9-13/h3-11,14H,2,12H2,1H3,(H,18,19,22)
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n/an/a 2.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM39599
PNG
(MLS000056730 | N-(2-keto-4-methyl-chromen-7-yl)-2,...)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
Show InChI InChI=1S/C19H15NO5/c1-11-8-18(21)25-16-9-12(6-7-13(11)16)20-19(22)17-10-23-14-4-2-3-5-15(14)24-17/h2-9,17H,10H2,1H3,(H,20,22)
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n/an/a 2.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM56369
PNG
(3-ethyl-2-mercapto-6,7,8,9-tetrahydropyrimido[4,5-...)
Show SMILES CCn1c(=S)[nH]c2nc3CCCCc3cc2c1=O
Show InChI InChI=1S/C13H15N3OS/c1-2-16-12(17)9-7-8-5-3-4-6-10(8)14-11(9)15-13(16)18/h7H,2-6H2,1H3,(H,14,15,18)
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n/an/a 2.85E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95290
PNG
(4-(methylthio)-N-thiochroman-4-yl-benzamide | MLS0...)
Show SMILES CSc1ccc(cc1)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C17H17NOS2/c1-20-13-8-6-12(7-9-13)17(19)18-15-10-11-21-16-5-3-2-4-14(15)16/h2-9,15H,10-11H2,1H3,(H,18,19)
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n/an/a 2.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95264
PNG
(2-[2-[(4-methylphenyl)carbamothioylamino]-1,3-thia...)
Show SMILES Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-7-9-15(10-8-13)21-18(25)23-19-22-16(12-26-19)11-17(24)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,24)(H2,21,22,23,25)
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n/an/a 3.23E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95294
PNG
(MLS001029332 | N-(2-chlorobenzyl)-4-(8-keto-6-thio...)
Show SMILES Clc1ccccc1CNC(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
Show InChI InChI=1S/C20H18ClN3O4S/c21-14-5-2-1-4-12(14)10-22-18(25)6-3-7-24-19(26)13-8-16-17(28-11-27-16)9-15(13)23-20(24)29/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,22,25)(H,23,29)
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n/an/a 3.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95274
PNG
(3-[3-(4-methyl-1-piperidinyl)propyl]-2-sulfanylide...)
Show SMILES CC1CCN(CCCn2c(=S)[nH]c3c4ccccc4sc3c2=O)CC1
Show InChI InChI=1S/C19H23N3OS2/c1-13-7-11-21(12-8-13)9-4-10-22-18(23)17-16(20-19(22)24)14-5-2-3-6-15(14)25-17/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,24)
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n/an/a 3.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95277
PNG
(5H-phenanthridine-6-thione | 6(5H)-Phenanthridinet...)
Show SMILES S=c1[nH]c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H9NS/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
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n/an/a 3.64E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66187
PNG
(5,5-Dimethyl-2-thioxo-2,3,5,6-tetrahydro-1H-benzo[...)
Show SMILES CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
Show InChI InChI=1S/C14H14N2OS/c1-14(2)7-8-5-3-4-6-9(8)11-10(14)12(17)16-13(18)15-11/h3-6H,7H2,1-2H3,(H2,15,16,17,18)
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n/an/a 3.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95251
PNG
(2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimid...)
Show SMILES Cc1cc(NC(=O)CSc2nc(nc3sc(C)c(C)c23)C2CC2)no1
Show InChI InChI=1S/C17H18N4O2S2/c1-8-6-12(21-23-8)18-13(22)7-24-16-14-9(2)10(3)25-17(14)20-15(19-16)11-4-5-11/h6,11H,4-5,7H2,1-3H3,(H,18,21,22)
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n/an/a 3.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95279
PNG
(1-[4-(Morpholine-4-sulfonyl)-phenyl]-piperidine-4-...)
Show SMILES O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H27N3O6S/c27-23(24-18-1-6-21-22(15-18)32-16-31-21)17-7-9-25(10-8-17)19-2-4-20(5-3-19)33(28,29)26-11-13-30-14-12-26/h1-6,15,17H,7-14,16H2,(H,24,27)
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n/an/a 4.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM87726
PNG
(MLS000539029 | N-(4-keto-6,7-dimethoxy-2-thioxo-1H...)
Show SMILES COc1cc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C17H15N3O4S/c1-23-13-8-11-12(9-14(13)24-2)18-17(25)20(16(11)22)19-15(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,25)(H,19,21)
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n/an/a 4.34E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM47222
PNG
(3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...)
Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1
Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)
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n/an/a 4.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95305
PNG
(1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimetho...)
Show SMILES COc1ccc(NC(=O)COC(=O)c2ccc3OCOc3c2)c(OC)c1
Show InChI InChI=1S/C18H17NO7/c1-22-12-4-5-13(15(8-12)23-2)19-17(20)9-24-18(21)11-3-6-14-16(7-11)26-10-25-14/h3-8H,9-10H2,1-2H3,(H,19,20)
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n/an/a 4.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95300
PNG
(3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethan...)
Show SMILES CC(=O)c1cccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C23H16N2O4/c1-14(26)15-6-4-8-17(12-15)24-21(27)16-7-5-9-18(13-16)25-22(28)19-10-2-3-11-20(19)23(25)29/h2-13H,1H3,(H,24,27)
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n/an/a 4.80E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95272
PNG
(3-ethyl-5,5-dimethyl-2-sulfanylidene-1,6-dihydrobe...)
Show SMILES CCn1c(=S)[nH]c2-c3ccccc3CC(C)(C)c2c1=O
Show InChI InChI=1S/C16H18N2OS/c1-4-18-14(19)12-13(17-15(18)20)11-8-6-5-7-10(11)9-16(12,2)3/h5-8H,4,9H2,1-3H3,(H,17,20)
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n/an/a 4.92E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM88678
PNG
(4-methyl-2-sulfanylidene-3H-thiazole-5-carboxylic ...)
Show SMILES CCOC(=O)c1sc(S)nc1C
Show InChI InChI=1S/C7H9NO2S2/c1-3-10-6(9)5-4(2)8-7(11)12-5/h3H2,1-2H3,(H,8,11)
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n/an/a 4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66169
PNG
(3-phenyl-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyr...)
Show SMILES O=c1n(-c2ccccc2)c(=S)[nH]c2c3ccccc3oc12
Show InChI InChI=1S/C16H10N2O2S/c19-15-14-13(11-8-4-5-9-12(11)20-14)17-16(21)18(15)10-6-2-1-3-7-10/h1-9H,(H,17,21)
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n/an/a 5.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95278
PNG
(5H-pyrrolo[1,2-a]quinoxaline-4-thione | MLS0007565...)
Show SMILES S=c1[nH]c2ccccc2n2cccc12
Show InChI InChI=1S/C11H8N2S/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)
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n/an/a 5.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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n/an/a 5.45E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95280
PNG
(MLS000878486 | SMR000094773 | [1-[3-(3,4-dimethoxy...)
Show SMILES COc1ccc(cc1OC)-c1c(C)nn2c(cc(C)nc12)N1CCC(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C27H35N5O3/c1-18-16-24(30-14-10-20(11-15-30)27(33)31-12-6-5-7-13-31)32-26(28-18)25(19(2)29-32)21-8-9-22(34-3)23(17-21)35-4/h8-9,16-17,20H,5-7,10-15H2,1-4H3
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n/an/a 5.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM42612
PNG
(3-methyl-5-sulfanylidene-2H-isothiazole-4-carboxyl...)
Show SMILES CCOC(=O)c1c(C)[nH]sc1=S
Show InChI InChI=1S/C7H9NO2S2/c1-3-10-6(9)5-4(2)8-12-7(5)11/h8H,3H2,1-2H3
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n/an/a 5.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95258
PNG
(MLS000564102 | N-(1-amino-3-methyl-1-oxobutan-2-yl...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N(Cc1ccco1)C(C(C)C)C(N)=O
Show InChI InChI=1S/C25H27N3O5/c1-16(2)22(23(26)29)28(15-19-7-6-14-33-19)25(31)20-8-4-5-9-21(20)27-24(30)17-10-12-18(32-3)13-11-17/h4-14,16,22H,15H2,1-3H3,(H2,26,29)(H,27,30)
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n/an/a 5.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66170
PNG
(3-(4-methoxyphenyl)-2-sulfanylidene-1H-[1]benzofur...)
Show SMILES COc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O3S/c1-21-11-8-6-10(7-9-11)19-16(20)15-14(18-17(19)23)12-4-2-3-5-13(12)22-15/h2-9H,1H3,(H,18,23)
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n/an/a 6.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM66167
PNG
(3-(4-methylphenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C17H12N2O2S/c1-10-6-8-11(9-7-10)19-16(20)15-14(18-17(19)22)12-4-2-3-5-13(12)21-15/h2-9H,1H3,(H,18,22)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95299
PNG
(4-(methylthio)-N-[2-(morpholine-4-carbonyl)phenyl]...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N2O4S2/c1-25-14-6-8-15(9-7-14)26(22,23)19-17-5-3-2-4-16(17)18(21)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95270
PNG
(8-methoxy-1,5-dihydropyrimid[5,4-b]indole-4-thione...)
Show SMILES COc1ccc2[nH]c3c(nc[nH]c3=S)c2c1
Show InChI InChI=1S/C11H7N3OS/c1-15-6-2-3-8-7(4-6)9-10(14-8)11(16)13-5-12-9/h2-5H,1H3
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95247
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybe...)
Show SMILES COc1cc(ccc1OCc1c(C)noc1C)C(=O)Oc1ccccc1
Show InChI InChI=1S/C20H19NO5/c1-13-17(14(2)26-21-13)12-24-18-10-9-15(11-19(18)23-3)20(22)25-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95302
PNG
((2-morpholin-4-yl-5-nitro-phenyl)-[4-(4-nitropheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C21H23N5O6/c27-21(19-15-18(26(30)31)5-6-20(19)23-11-13-32-14-12-23)24-9-7-22(8-10-24)16-1-3-17(4-2-16)25(28)29/h1-6,15H,7-14H2
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95246
PNG
((3E)-4-(3-chlorophenyl)-3-(6-ketocyclohexa-2,4-die...)
Show SMILES Oc1ccccc1-c1n[nH]c2C(=O)N(CC3CCCO3)C(c12)c1cccc(Cl)c1
Show InChI InChI=1S/C22H20ClN3O3/c23-14-6-3-5-13(11-14)21-18-19(16-8-1-2-9-17(16)27)24-25-20(18)22(28)26(21)12-15-7-4-10-29-15/h1-3,5-6,8-9,11,15,21,27H,4,7,10,12H2,(H,24,25)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95284
PNG
(1-allyl-5-hydroxy-2-methyl-benz[g]indole-3-carboxy...)
Show SMILES CCOC(=O)c1c(C)n(CC=C)c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C19H19NO3/c1-4-10-20-12(3)17(19(22)23-5-2)15-11-16(21)13-8-6-7-9-14(13)18(15)20/h4,6-9,11,21H,1,5,10H2,2-3H3
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95286
PNG
(2-azanylidene-7-ethoxy-N-(phenylmethyl)chromene-3-...)
Show SMILES CCOc1ccc2cc(C(=O)NCc3ccccc3)c(=N)oc2c1
Show InChI InChI=1S/C19H18N2O3/c1-2-23-15-9-8-14-10-16(18(20)24-17(14)11-15)19(22)21-12-13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,21,22)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95303
PNG
(MLS002170934 | N-[4-[2-(2',5'-diketospiro[chroman-...)
Show SMILES CCN(c1ccc(cc1)C(=O)CN1C(=O)NC2(CCOc3ccccc23)C1=O)S(C)(=O)=O
Show InChI InChI=1S/C22H23N3O6S/c1-3-25(32(2,29)30)16-10-8-15(9-11-16)18(26)14-24-20(27)22(23-21(24)28)12-13-31-19-7-5-4-6-17(19)22/h4-11H,3,12-14H2,1-2H3,(H,23,28)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95275
PNG
(4-acetyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-...)
Show SMILES COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
Show InChI InChI=1S/C22H23N3O5S/c1-13-20(15(3)26)14(2)23-21(13)22(27)24-16-8-7-9-17(12-16)31(28,29)25-18-10-5-6-11-19(18)30-4/h5-12,23,25H,1-4H3,(H,24,27)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95287
PNG
(6-[(2,4-difluorophenyl)sulfamoyl]-4-keto-N-(2-meth...)
Show SMILES COCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C19H17F2N3O5S/c1-29-7-6-22-19(26)14-10-23-16-5-3-12(9-13(16)18(14)25)30(27,28)24-17-4-2-11(20)8-15(17)21/h2-5,8-10,24H,6-7H2,1H3,(H,22,26)(H,23,25)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM33060
PNG
(4-(5-methyl-2-furanyl)-2-sulfanylidene-5,6,7,8-tet...)
Show SMILES Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N
Show InChI InChI=1S/C15H14N2OS/c1-9-6-7-13(18-9)14-10-4-2-3-5-12(10)17-15(19)11(14)8-16/h6-7H,2-5H2,1H3,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95281
PNG
(3-amino-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]b...)
Show SMILES Nn1c(=S)[nH]c2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C10H11N3OS2/c11-13-9(14)7-5-3-1-2-4-6(5)16-8(7)12-10(13)15/h1-4,11H2,(H,12,15)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95310
PNG
(2-[(4-methoxyphenyl)methylamino]-6-methyl-4-[3-(tr...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H27F6N3O3/c1-18-25(27(40)42-3)26(20-8-6-9-22(15-20)29(31,32)33)38-28(37-16-19-11-13-23(41-2)14-12-19)39(18)17-21-7-4-5-10-24(21)30(34,35)36/h4-15,26H,16-17H2,1-3H3,(H,37,38)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM48025
PNG
(5-[4-(diethylamino)phenyl]-N-(4-ethylphenyl)-4-phe...)
Show SMILES CCN(CC)c1ccc(cc1)-c1sc(Nc2ccc(CC)cc2)n[n+]1-c1ccccc1
Show InChI InChI=1S/C26H29N4S/c1-4-20-12-16-22(17-13-20)27-26-28-30(24-10-8-7-9-11-24)25(31-26)21-14-18-23(19-15-21)29(5-2)6-3/h7-19H,4-6H2,1-3H3,(H,27,28)/q+1
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95253
PNG
(MLS000531638 | N-(4-acetylphenyl)-2,5-dimethoxy-be...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C16H17NO5S/c1-11(18)12-4-6-13(7-5-12)17-23(19,20)16-10-14(21-2)8-9-15(16)22-3/h4-10,17H,1-3H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61257
PNG
(2-(2-keto-4-propyl-chromen-7-yl)oxy-N-(4-sulfamoyl...)
Show SMILES CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
Show InChI InChI=1S/C20H20N2O6S/c1-2-3-13-10-20(24)28-18-11-15(6-9-17(13)18)27-12-19(23)22-14-4-7-16(8-5-14)29(21,25)26/h4-11H,2-3,12H2,1H3,(H,22,23)(H2,21,25,26)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM54959
PNG
(3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2S/c1-2-20-11-6-3-5-10(9-11)14-18-19-13(12-7-4-8-21-12)16-17-15(19)22-14/h3-9H,2H2,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95267
PNG
(1-N-cyclopropyl-4-N-(2-methylcyclohexyl)-4-N-[(3,4...)
Show SMILES COc1cc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)cc(OC)c1OC
Show InChI InChI=1S/C26H36N2O7S2/c1-18-7-5-6-8-23(18)28(17-19-15-24(33-2)26(35-4)25(16-19)34-3)37(31,32)22-13-11-21(12-14-22)36(29,30)27-20-9-10-20/h11-16,18,20,23,27H,5-10,17H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95282
PNG
(4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O3S/c22-27(25,26)20-12-6-16(7-13-20)14-15-23-21(24)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-13H,14-15H2,(H,23,24)(H2,22,25,26)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95293
PNG
(1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4-thione | M...)
Show SMILES S=c1[nH]cnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C11H8N4S/c16-11-9-6-14-15(10(9)12-7-13-11)8-4-2-1-3-5-8/h1-7H,(H,12,13,16)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95285
PNG
(5-ethyl-5-methyl-2-(methylthio)-1,6-dihydrobenzo[h...)
Show SMILES CCC1(C)Cc2ccccc2-c2nc(SC)[nH]c(=O)c12
Show InChI InChI=1S/C16H18N2OS/c1-4-16(2)9-10-7-5-6-8-11(10)13-12(16)14(19)18-15(17-13)20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)
UniProtKB/SwissProt

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n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM83848
PNG
(MLS002702310 | N-[2-(dimethylamino)ethyl]-1-methox...)
Show SMILES COc1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12
Show InChI InChI=1S/C19H21N3O2/c1-22(2)11-10-20-19(23)14-8-9-17(24-3)15-12-13-6-4-5-7-16(13)21-18(14)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a>6.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%