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117 molecules are shown

Wt: 328.4
BDBM38850
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Wt: 233.2
BDBM38924
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Wt: 300.3
BDBM36888
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Wt: 305.3
BDBM37382
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Wt: 283.2
BDBM36994
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Wt: 379.4
BDBM36903
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Wt: 421.5
BDBM41139
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Wt: 451.5
BDBM41443
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Wt: 366.2
BDBM40563
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Wt: 292.3
BDBM40037
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Wt: 404.5
BDBM39962
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Wt: 218.2
BDBM39433
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Wt: 458.4
BDBM42715
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Wt: 383.8
BDBM42465
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Wt: 308.3
BDBM42674
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<<  First   |  Previous   |  Displayed 16 to 30 (of 117 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 90 hits for monomerid = 38850,38924,36888,37382,36994,36903,41139,41443,40563,40037,39962,39433,42715,42465,42674   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/an/an/a 1.18E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/an/an/a 3.84E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36994
PNG
(5-(3,4-dimethoxyphenyl)-3-(4-pyridyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O3/c1-19-12-4-3-11(9-13(12)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/an/an/a 5.88E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/an/an/a 1.45E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36994
PNG
(5-(3,4-dimethoxyphenyl)-3-(4-pyridyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O3/c1-19-12-4-3-11(9-13(12)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
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n/an/an/an/a>9.51E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/an/an/a 1.19E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/an/an/a 4.94E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36994
PNG
(5-(3,4-dimethoxyphenyl)-3-(4-pyridyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O3/c1-19-12-4-3-11(9-13(12)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
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n/an/an/an/a 1.85E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37382
PNG
((1-methylbenzimidazol-2-yl)-(1-propylbenzimidazol-...)
Show SMILES CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
Show InChI InChI=1S/C18H19N5/c1-3-12-23-16-11-7-5-9-14(16)20-18(23)21-17-19-13-8-4-6-10-15(13)22(17)2/h4-11H,3,12H2,1-2H3,(H,19,20,21)
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n/an/a 7.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
PDB
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n/an/a 1.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/a 2.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM39433
PNG
(3-amino-5-methyl-1H-indole-2-carboxylic acid ethyl...)
Show SMILES CCOC(=O)c1[nH]c2ccc(C)cc2c1N
Show InChI InChI=1S/C12H14N2O2/c1-3-16-12(15)11-10(13)8-6-7(2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
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n/an/an/an/a 544n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23T9FMP
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/a 2.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM39962
PNG
(7-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylme...)
Show SMILES Cc1cccc(c1)-n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
Show InChI InChI=1S/C21H16N4OS2/c1-14-5-4-6-16(11-14)25-18-8-3-2-7-17(18)23-21(25)28-13-15-12-19(26)24-9-10-27-20(24)22-15/h2-12H,13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/a 2.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40037
PNG
((3aS,4R,9bR)-4-(2-pyridinyl)-3a,4,5,9b-tetrahydro-...)
Show SMILES OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
Show InChI InChI=1S/C18H16N2O2/c21-18(22)11-7-8-15-14(10-11)12-4-3-5-13(12)17(20-15)16-6-1-2-9-19-16/h1-4,6-10,12-13,17,20H,5H2,(H,21,22)/t12-,13+,17-/m1/s1
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n/an/a 9.53E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM41139
PNG
(2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1
Show InChI InChI=1S/C22H23N5O2S/c1-13-7-8-18(14(2)9-13)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-6-4-3-5-16(15)19/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28)/t17-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27D2SJC
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38850
PNG
(2-(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophen-3-ylsu...)
Show SMILES Cn1c(SC2=CS(=O)(=O)c3ccccc23)nc2ccccc12 |t:4|
Show InChI InChI=1S/C16H12N2O2S2/c1-18-13-8-4-3-7-12(13)17-16(18)21-14-10-22(19,20)15-9-5-2-6-11(14)15/h2-10H,1H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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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


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(Homo sapiens (Human))
BDBM39433
PNG
(3-amino-5-methyl-1H-indole-2-carboxylic acid ethyl...)
Show SMILES CCOC(=O)c1[nH]c2ccc(C)cc2c1N
Show InChI InChI=1S/C12H14N2O2/c1-3-16-12(15)11-10(13)8-6-7(2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
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n/an/an/an/a 731n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
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n/an/an/an/a 2.45E+4n/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM38850
PNG
(2-(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophen-3-ylsu...)
Show SMILES Cn1c(SC2=CS(=O)(=O)c3ccccc23)nc2ccccc12 |t:4|
Show InChI InChI=1S/C16H12N2O2S2/c1-18-13-8-4-3-7-12(13)17-16(18)21-14-10-22(19,20)15-9-5-2-6-11(14)15/h2-10H,1H3
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n/an/a>3.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/a 9.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM40563
PNG
(5-bromanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thio...)
Show SMILES Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3OS2/c14-11-5-4-10(20-11)12(18)17-13-16-9(7-19-13)8-3-1-2-6-15-8/h1-7H,(H,16,17,18)
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n/an/an/an/a 2.27E+4n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42465
PNG
(3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxyli...)
Show SMILES Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
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n/an/a 7.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42674
PNG
(MLS000058383 | N-(1,3-thiazol-2-yl)-2-(3,4,5-trime...)
Show SMILES COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
Show InChI InChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-12(17)16-14-15-4-5-21-14/h4-7H,8H2,1-3H3,(H,15,16,17)
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n/an/a>9.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42715
PNG
(3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C26H23FN4O3/c27-20-9-11-21(12-10-20)29-13-15-30(16-14-29)24(32)19-7-5-18(6-8-19)17-31-25(33)22-3-1-2-4-23(22)28-26(31)34/h1-12H,13-17H2,(H,28,34)
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n/an/a 8.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM41139
PNG
(2-[[5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,3,4-...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1
Show InChI InChI=1S/C22H23N5O2S/c1-13-7-8-18(14(2)9-13)25-20(28)12-30-22-27-26-21(29-22)17(23)10-15-11-24-19-6-4-3-5-16(15)19/h3-9,11,17,24H,10,12,23H2,1-2H3,(H,25,28)/t17-/m0/s1
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n/an/a 223n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM40037
PNG
((3aS,4R,9bR)-4-(2-pyridinyl)-3a,4,5,9b-tetrahydro-...)
Show SMILES OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
Show InChI InChI=1S/C18H16N2O2/c21-18(22)11-7-8-15-14(10-11)12-4-3-5-13(12)17(20-15)16-6-1-2-9-19-16/h1-4,6-10,12-13,17,20H,5H2,(H,21,22)/t12-,13+,17-/m1/s1
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n/an/an/an/a 4.61E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM40037
PNG
((3aS,4R,9bR)-4-(2-pyridinyl)-3a,4,5,9b-tetrahydro-...)
Show SMILES OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
Show InChI InChI=1S/C18H16N2O2/c21-18(22)11-7-8-15-14(10-11)12-4-3-5-13(12)17(20-15)16-6-1-2-9-19-16/h1-4,6-10,12-13,17,20H,5H2,(H,21,22)/t12-,13+,17-/m1/s1
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n/an/an/an/a 3.11E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM39962
PNG
(7-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylme...)
Show SMILES Cc1cccc(c1)-n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
Show InChI InChI=1S/C21H16N4OS2/c1-14-5-4-6-16(11-14)25-18-8-3-2-7-17(18)23-21(25)28-13-15-12-19(26)24-9-10-27-20(24)22-15/h2-12H,13H2,1H3
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n/an/a 2.13E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM42674
PNG
(MLS000058383 | N-(1,3-thiazol-2-yl)-2-(3,4,5-trime...)
Show SMILES COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
Show InChI InChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-12(17)16-14-15-4-5-21-14/h4-7H,8H2,1-3H3,(H,15,16,17)
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/an/an/a>1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H41PWZ
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H41PWZ
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM42715
PNG
(3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C26H23FN4O3/c27-20-9-11-21(12-10-20)29-13-15-30(16-14-29)24(32)19-7-5-18(6-8-19)17-31-25(33)22-3-1-2-4-23(22)28-26(31)34/h1-12H,13-17H2,(H,28,34)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H41PWZ
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Candida dubliniensis CD36)
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/an/an/a 1.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Candida dubliniensis CD36)
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/an/an/a 1.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase


(Candida dubliniensis CD36)
BDBM42715
PNG
(3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C26H23FN4O3/c27-20-9-11-21(12-10-20)29-13-15-30(16-14-29)24(32)19-7-5-18(6-8-19)17-31-25(33)22-3-1-2-4-23(22)28-26(31)34/h1-12H,13-17H2,(H,28,34)
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n/an/an/an/a 1.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
Vacuolar aminopeptidase 1


(Saccharomyces cerevisiae)
BDBM38924
PNG
(2,6-bis(2-pyridinyl)pyridine | 2,6-bis(2-pyridyl)p...)
Show SMILES c1ccc(nc1)-c1cccc(n1)-c1ccccn1
Show InChI InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
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n/an/an/an/a 3.90E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V986HQ
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V986HQ
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM42715
PNG
(3-(4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}b...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C26H23FN4O3/c27-20-9-11-21(12-10-20)29-13-15-30(16-14-29)24(32)19-7-5-18(6-8-19)17-31-25(33)22-3-1-2-4-23(22)28-26(31)34/h1-12H,13-17H2,(H,28,34)
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2V986HQ
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM38850
PNG
(2-(1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophen-3-ylsu...)
Show SMILES Cn1c(SC2=CS(=O)(=O)c3ccccc23)nc2ccccc12 |t:4|
Show InChI InChI=1S/C16H12N2O2S2/c1-18-13-8-4-3-7-12(13)17-16(18)21-14-10-22(19,20)15-9-5-2-6-11(14)15/h2-10H,1H3
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n/an/an/an/a 2.33E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM42465
PNG
(3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxyli...)
Show SMILES Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
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n/an/an/an/a<120n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
ATP-dependent molecular chaperone HSP82


(Candida albicans)
BDBM39433
PNG
(3-amino-5-methyl-1H-indole-2-carboxylic acid ethyl...)
Show SMILES CCOC(=O)c1[nH]c2ccc(C)cc2c1N
Show InChI InChI=1S/C12H14N2O2/c1-3-16-12(15)11-10(13)8-6-7(2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
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n/an/an/an/a 2.59E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
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