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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'calcineurin A1, putative'   
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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64574
PNG
(2,4-bis(chloranyl)-N-[5-(5,6,7,8-tetrahydronaphtha...)
Show SMILES Clc1ccc(C(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)c(Cl)c1
Show InChI InChI=1S/C19H15Cl2N3O2/c20-14-7-8-15(16(21)10-14)17(25)22-19-24-23-18(26-19)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,22,24,25)
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n/an/an/an/a 4.66E+3n/an/an/an/a



Broad Institute

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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64576
PNG
((3Z)-5-ethyl-3-(2-oxidanylidene-2-thiophen-2-yl-et...)
Show SMILES CCc1ccc2NC(=O)\C(=C/C(=O)c3cccs3)c2c1
Show InChI InChI=1S/C16H13NO2S/c1-2-10-5-6-13-11(8-10)12(16(19)17-13)9-14(18)15-4-3-7-20-15/h3-9H,2H2,1H3,(H,17,19)/b12-9-
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n/an/an/an/a 5.99E+3n/an/an/an/a



Broad Institute

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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64627
PNG
(2-N-(3,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl...)
Show SMILES CC1CCN(CC1)c1nc(Nc2ccc(C)c(C)c2)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C18H24N6O2/c1-11-6-8-23(9-7-11)17-15(24(25)26)16(19)21-18(22-17)20-14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3,(H3,19,20,21,22)
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n/an/an/an/a 9.17E+3n/an/an/an/a



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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM34677
PNG
(3-(4-methylbenzoyl)benzo[g][1]benzofuran-4,5-dione...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-6-8-12(9-7-11)17(21)15-10-24-20-14-5-3-2-4-13(14)18(22)19(23)16(15)20/h2-10H,1H3
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n/an/an/an/a 9.27E+3n/an/an/an/a



Broad Institute

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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64768
PNG
(4,5,6,7-tetrafluoro-2-methyl-N-[3-(trifluoromethyl...)
Show SMILES Cc1oc2c(F)c(F)c(F)c(F)c2c1S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H8F7NO3S/c1-6-15(9-10(17)11(18)12(19)13(20)14(9)27-6)28(25,26)24-8-4-2-3-7(5-8)16(21,22)23/h2-5,24H,1H3
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n/an/an/an/a 9.76E+3n/an/an/an/a



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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM33135
PNG
(3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...)
Show SMILES Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
Show InChI InChI=1S/C18H16O3/c1-12-7-8-14(11-13(12)2)9-10-16(19)15-5-3-4-6-17(20)18(15)21/h3-11H,1-2H3,(H,20,21)/b10-9+
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n/an/an/an/a 1.29E+4n/an/an/an/a



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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM44936
PNG
(4-Chloro-benzoic acid N'-[2-(2,2,2-trifluoro-a...)
Show SMILES FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClF3N2O2/c15-9-6-4-8(5-7-9)13(22)20-19-11-3-1-2-10(11)12(21)14(16,17)18/h4-7,19H,1-3H2,(H,20,22)
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n/an/an/an/a 1.35E+4n/an/an/an/a



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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
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 1.57E+4n/an/an/an/a



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


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BindingDB Entry DOI: 10.7270/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64598
PNG
(6-bromanyl-3-oxidanyl-2-[3-(trifluoromethyl)phenyl...)
Show SMILES On1c(nc2ccc(Br)cc2c1=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H8BrF3N2O2/c16-10-4-5-12-11(7-10)14(22)21(23)13(20-12)8-2-1-3-9(6-8)15(17,18)19/h1-7,23H
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Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...


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BindingDB Entry DOI: 10.7270/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64595
PNG
(MLS000555416 | N-[3-(4-Chloro-benzoyl)-4,5,6,7-tet...)
Show SMILES Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12
Show InChI InChI=1S/C21H17ClN2O2S/c22-15-9-7-13(8-10-15)19(25)18-16-5-1-2-6-17(16)27-21(18)24-20(26)14-4-3-11-23-12-14/h3-4,7-12H,1-2,5-6H2,(H,24,26)
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n/an/an/an/a 2.76E+4n/an/an/an/a



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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64543
PNG
(2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxyphenyl)e...)
Show SMILES Oc1ccc(C(=O)Cc2nc3ccccc3s2)c(O)c1
Show InChI InChI=1S/C15H11NO3S/c17-9-5-6-10(12(18)7-9)13(19)8-15-16-11-3-1-2-4-14(11)20-15/h1-7,17-18H,8H2
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n/an/an/an/a 1.80E+5n/an/an/an/a



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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64544
PNG
(7-[(1,3-benzothiazol-2-ylamino)-(2-furanyl)methyl]...)
Show SMILES Oc1c(ccc2cccnc12)C(Nc1nc2ccccc2s1)c1ccco1
Show InChI InChI=1S/C21H15N3O2S/c25-20-14(10-9-13-5-3-11-22-18(13)20)19(16-7-4-12-26-16)24-21-23-15-6-1-2-8-17(15)27-21/h1-12,19,25H,(H,23,24)
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n/an/an/an/a 1.80E+5n/an/an/an/a



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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64545
PNG
(3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [3...)
Show SMILES Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1/C23H19N5O3/c1-14-21(15(2)28(27-14)16-8-4-3-5-9-16)23(30)31-13-20(29)17(12-24)22-25-18-10-6-7-11-19(18)26-22/h3-11,17H,13H2,1-2H3,(H,25,26)
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64546
PNG
(4-ethyl-3-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]p...)
Show SMILES CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)n[nH]c1=O
Show InChI InChI=1S/C15H13N5OS3/c1-3-20-14(21)18-19-15(20)24-13-11-9(10-5-4-6-22-10)7-23-12(11)16-8(2)17-13/h4-7H,3H2,1-2H3,(H,18,21)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64547
PNG
(MLS000095477 | N-(2-furanylmethyl)-5-oxo-1-sulfany...)
Show SMILES O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C16H11N3O3S2/c20-14-10-5-1-2-6-11(10)19-13(18-14)12(24-16(19)23)15(21)17-8-9-4-3-7-22-9/h1-7H,8H2,(H,17,21)(H,18,20)
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM54164
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1
Show InChI InChI=1S/C25H22N4O5S/c1-33-21-10-6-19(7-11-21)24-27-28-25(34-24)26-23(30)18-8-12-22(13-9-18)35(31,32)29-15-14-17-4-2-3-5-20(17)16-29/h2-13H,14-16H2,1H3,(H,26,28,30)
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Broad Institute

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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM34358
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1OC
Show InChI InChI=1S/C25H24N4O5S/c1-3-29(17-18-9-5-4-6-10-18)35(31,32)20-15-13-19(14-16-20)23(30)26-25-28-27-24(34-25)21-11-7-8-12-22(21)33-2/h4-16H,3,17H2,1-2H3,(H,26,28,30)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64548
PNG
(MLS000087310 | N-(3-cyano-4,5,6,7-tetrahydro-1-ben...)
Show SMILES Cc1cc(no1)C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C14H13N3O2S/c1-8-6-11(17-19-8)13(18)16-14-10(7-15)9-4-2-3-5-12(9)20-14/h6H,2-5H2,1H3,(H,16,18)
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BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
calcineurin A1, putative


(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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BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM38968
PNG
(MLS000086346 | N-[5-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES CC1(C)COCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(Cl)s1
Show InChI InChI=1S/C18H17ClN4O5S2/c1-18(2)9-27-10-23(18)30(25,26)12-5-3-11(4-6-12)15(24)20-17-22-21-16(28-17)13-7-8-14(19)29-13/h3-8H,9-10H2,1-2H3,(H,20,22,24)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64549
PNG
(4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(4-m...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1
Show InChI InChI=1S/C25H22N4O5S/c1-33-20-12-8-19(9-13-20)24-27-28-25(34-24)26-23(30)18-10-14-21(15-11-18)35(31,32)29-16-4-6-17-5-2-3-7-22(17)29/h2-3,5,7-15H,4,6,16H2,1H3,(H,26,28,30)
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BindingDB Entry DOI: 10.7270/Q2CC0Z46
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64542
PNG
(5-(dimethylcarbamoyloxy)-2-methyl-benzofuran-3-car...)
Show SMILES CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12
Show InChI InChI=1S/C16H19NO5/c1-9(2)20-15(18)14-10(3)21-13-7-6-11(8-12(13)14)22-16(19)17(4)5/h6-9H,1-5H3
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64541
PNG
(1-[2-(dimethylamino)ethylamino]-3-methyl-2-prop-2-...)
Show SMILES CN(C)CCNc1c(CC=C)c(C)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C20H23N5/c1-5-8-15-14(2)16(13-21)20-23-17-9-6-7-10-18(17)25(20)19(15)22-11-12-24(3)4/h5-7,9-10,22H,1,8,11-12H2,2-4H3
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64540
PNG
(4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]benzo...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC1)c1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C23H22N4O/c1-2-7-18(8-3-1)9-6-12-26-13-15-27(16-14-26)23-22-21(24-17-25-23)19-10-4-5-11-20(19)28-22/h1-11,17H,12-16H2/b9-6+
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64539
PNG
((6E)-2-methoxy-6-[4-(propan-2-ylamino)-1H-quinazol...)
Show SMILES COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1
Show InChI InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM37653
PNG
(3-(1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl...)
Show SMILES COc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC
Show InChI InChI=1/C25H20N2O7/c1-13-11-19(26-34-13)27-21(15-8-6-10-17(31-2)24(15)32-3)20(23(29)25(27)30)22(28)18-12-14-7-4-5-9-16(14)33-18/h4-12,20-21H,1-3H3
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM37650
PNG
(3-(1-benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1/C25H20N2O7/c1-13-10-20(26-34-13)27-22(16-12-15(31-2)8-9-18(16)32-3)21(24(29)25(27)30)23(28)19-11-14-6-4-5-7-17(14)33-19/h4-12,21-22H,1-3H3
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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
calcineurin A1, putative


(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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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
calcineurin A1, putative


(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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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM34573
PNG
((1-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane]...)
Show SMILES [O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC11CCCCC1
Show InChI InChI=1S/C18H19N3O/c22-21-17-10-9-15(19-14-7-3-1-4-8-14)13-16(17)20-18(21)11-5-2-6-12-18/h1,3-4,7-10,13,19H,2,5-6,11-12H2
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64537
PNG
(MLS000029439 | N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-...)
Show SMILES CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1
Show InChI InChI=1S/C16H17N5OS2/c1-3-14-19-20-15(24-14)18-13(22)10-23-16-17-9-12(21(16)2)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,18,20,22)
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64538
PNG
(MLS000030000 | N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-...)
Show SMILES CCc1nnc(NC(=O)CN2CCN(CC2)c2nc(cs2)-c2ccccc2)s1
Show InChI InChI=1S/C19H22N6OS2/c1-2-17-22-23-18(28-17)21-16(26)12-24-8-10-25(11-9-24)19-20-15(13-27-19)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,21,23,26)
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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
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM68335
PNG
(1-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-diaza...)
Show SMILES CCOC(=O)N1C(=S)N(c2ccc(C)cc2)C2(CCCCC2)C1=O
Show InChI InChI=1S/C18H22N2O3S/c1-3-23-17(22)19-15(21)18(11-5-4-6-12-18)20(16(19)24)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM68334
PNG
(3-amino-N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiaz...)
Show SMILES Nc1nccnc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C14H11ClN6OS2/c15-9-3-1-8(2-4-9)7-23-14-21-20-13(24-14)19-12(22)10-11(16)18-6-5-17-10/h1-6H,7H2,(H2,16,18)(H,19,20,22)
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64662
PNG
(5-(2-methylpropoxymethyl)-8-quinolinol | 5-(2-meth...)
Show SMILES CC(C)COCc1ccc(O)c2ncccc12
Show InChI InChI=1S/C14H17NO2/c1-10(2)8-17-9-11-5-6-13(16)14-12(11)4-3-7-15-14/h3-7,10,16H,8-9H2,1-2H3
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM68338
PNG
((2Z)-2-(phenylmethylene)-4,9-dihydro-3H-carbazol-1...)
Show SMILES O=C1c2[nH]c3ccccc3c2CC\C1=C\c1ccccc1
Show InChI InChI=1S/C19H15NO/c21-19-14(12-13-6-2-1-3-7-13)10-11-16-15-8-4-5-9-17(15)20-18(16)19/h1-9,12,20H,10-11H2/b14-12-
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM68336
PNG
(BRD-K57435385-001-01-8 | N-[5-[(4-chlorobenzyl)thi...)
Show SMILES Clc1ccc(CSc2nnc(NC(=O)c3ccc4ccccc4n3)s2)cc1
Show InChI InChI=1S/C19H13ClN4OS2/c20-14-8-5-12(6-9-14)11-26-19-24-23-18(27-19)22-17(25)16-10-7-13-3-1-2-4-15(13)21-16/h1-10H,11H2,(H,22,23,25)
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64754
PNG
(3-(2,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-(4-phen...)
Show SMILES COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)N2CCN(CC2)c2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C29H29N5O5/c1-38-21-12-13-24(25(18-21)39-2)34-29(37)23-11-7-6-10-22(23)27(31-34)28(36)30-19-26(35)33-16-14-32(15-17-33)20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,30,36)
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM60225
PNG
(4-fluoranyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)o1
Show InChI InChI=1S/C16H12FN3O3/c1-22-13-8-4-11(5-9-13)15-19-20-16(23-15)18-14(21)10-2-6-12(17)7-3-10/h2-9H,1H3,(H,18,20,21)
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM64558
PNG
((5,7-dichloroquinolin-8-yl) thiophene-2-carboxylat...)
Show SMILES Clc1cc(Cl)c2cccnc2c1OC(=O)c1cccs1
Show InChI InChI=1S/C14H7Cl2NO2S/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)19-14(18)11-4-2-6-20-11/h1-7H
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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM58327
PNG
(MLS001204085 | N-[(4-Chloro-phenyl)-(8-hydroxy-qui...)
Show SMILES CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)
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Broad Institute

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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM46388
PNG
(3-(4-fluorobenzyl)oxy-2-methyl-quinoline | 3-[(4-f...)
Show SMILES Cc1nc2ccccc2cc1OCc1ccc(F)cc1
Show InChI InChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3
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Broad Institute

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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/Q2ZP44K0
More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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US Patent
n/an/a 8n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair