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PubChem AID 488874

Compile data set for download or QSAR
Found 80 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
Alpi


(Rattus norvegicus (Rat))
BDBM60983
PNG
((E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5...)
Show SMILES COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
Show InChI InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+
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n/an/a<195n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 259n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50242280
PNG
((2S,3S,4S,5R,6S)-6-(2-(3,4-dihydroxyphenyl)-5,7-di...)
Show SMILES O[C@H]1[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-24,26-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
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n/an/a 3.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60205
PNG
(MLS001006819 | N,N'-bis(4-keto-2-thioxo-thiazolidi...)
Show SMILES Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
Show InChI InChI=1S/C8H6N4O4S4/c13-3-1-19-7(17)11(3)9-5(15)6(16)10-12-4(14)2-20-8(12)18/h1-2,13-14H,(H,9,15)(H,10,16)
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n/an/a 3.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60729
PNG
(3-[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-yli...)
Show SMILES Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-6-5-9(7-13(12)20)8-16-18-14-10-3-1-2-4-11(10)17-15(14)21/h1-8,19-20H,(H,17,18,21)
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n/an/a 4.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM61326
PNG
(1-N',2-N'-bis[(E)-(2-hydroxy-4-oxocyclohexa-2,5-di...)
Show SMILES Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1
Show InChI InChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,21-24H,(H,19,25)(H,20,26)
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n/an/a 5.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39617
PNG
(3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-1-benzop...)
Show SMILES CNc1nnc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H9N3O2S/c1-13-12-15-14-10(18-12)8-6-7-4-2-3-5-9(7)17-11(8)16/h2-6H,1H3,(H,13,15)
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n/an/a 5.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75772
PNG
(3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-2-benzopyran...)
Show SMILES Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-6,16-19H
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n/an/a 7.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/a 8.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM43817
PNG
((3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindol...)
Show SMILES Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2
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n/an/a 9.81E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53894
PNG
(2-chloranyl-N-[(5Z)-5-[(3-nitro-4-oxidanyl-phenyl)...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H10ClN3O5S2/c18-11-4-2-1-3-10(11)15(23)19-20-16(24)14(28-17(20)27)8-9-5-6-13(22)12(7-9)21(25)26/h1-8,22H,(H,19,23)/b14-8-
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n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM48868
PNG
(1-ethyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]-6-methyl-...)
Show SMILES CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
Show InChI InChI=1S/C22H20N2/c1-3-24-19(11-9-17-14-16(2)8-13-22(17)24)12-10-18-15-23-21-7-5-4-6-20(18)21/h4-15H,3H2,1-2H3/p+1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM69390
PNG
(2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2...)
Show SMILES CC(C)=CCc1c(O)ccc2C(=O)CC(Oc12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-9,19,21-22,24H,5,10H2,1-2H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50248691
PNG
((1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
Show InChI InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39713
PNG
(1'-allylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3...)
Show SMILES C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)17(16(20)21)19-18-13-8-4-6-10-15(13)22-17/h2-10,18-19H,1,11H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75739
PNG
((1Z)-1-[(4-hydroxyphenyl)hydrazinylidene]-2-naphth...)
Show SMILES Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12
Show InChI InChI=1S/C16H12N2O2/c19-13-8-6-12(7-9-13)17-18-16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,19-20H
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n/an/a 1.74E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM66136
PNG
(2-amino-5-(3-hydroxy-6-keto-xanthen-9-yl)benzoic a...)
Show SMILES Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C20H13NO5/c21-16-6-1-10(7-15(16)20(24)25)19-13-4-2-11(22)8-17(13)26-18-9-12(23)3-5-14(18)19/h1-9,22H,21H2,(H,24,25)
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n/an/a 2.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75744
PNG
((2E)-3-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Show SMILES CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-8-6-7-9-19(17)23)15-22-24(5-2)20-13-10-16(3)14-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 2.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75626
PNG
(MLS000582497 | N-(3-ethoxypropyl)-4-keto-4-[N'-(2-...)
Show SMILES CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H27N7O3/c1-2-34-16-8-15-25-20(32)13-14-21(33)28-29-24-26-19-12-7-6-11-18(19)23-27-22(30-31(23)24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3,(H,25,32)(H,26,29)(H,28,33)
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n/an/a 2.96E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM67333
PNG
(8-(dimethylamino)-10-(2,3,4,5-tetrahydroxypentyl)b...)
Show SMILES CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
Show InChI InChI=1S/C17H21N5O6/c1-21(2)8-3-4-9-10(5-8)22(6-11(24)14(26)12(25)7-23)15-13(18-9)16(27)20-17(28)19-15/h3-5,11-12,14,23-26H,6-7H2,1-2H3,(H,20,27,28)
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n/an/a 3.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75759
PNG
((4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-m...)
Show SMILES CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O
Show InChI InChI=1S/C13H12BrNO4/c1-3-18-11-6-8(5-10(14)12(11)16)4-9-7(2)15-19-13(9)17/h4-6,15H,3H2,1-2H3/b8-4+
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n/an/a 3.31E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM51017
PNG
((5E)-3-allyl-2-thioxo-5-[(2E)-2-(1,3,3-trimethyl-1...)
Show SMILES CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C19H20N2OS2/c1-5-12-21-17(22)15(24-18(21)23)10-11-16-19(2,3)13-8-6-7-9-14(13)20(16)4/h5-11H,1,12H2,2-4H3/b15-10+,16-11+
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n/an/a 3.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75696
PNG
(1-[3-(dimethylsulfamoyl)phenyl]-3-[(3-hydroxy-2-na...)
Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
Show InChI InChI=1S/C20H20N4O4S2/c1-24(2)30(27,28)16-9-5-8-15(12-16)21-20(29)23-22-19(26)17-10-13-6-3-4-7-14(13)11-18(17)25/h3-12,25H,1-2H3,(H,22,26)(H2,21,23,29)
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n/an/a 3.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39767
PNG
((4Z)-2-benzyl-4-[4-(dimethylamino)benzylidene]-5-m...)
Show SMILES CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C20H21N3O/c1-15-19(13-16-9-11-18(12-10-16)22(2)3)20(24)23(21-15)14-17-7-5-4-6-8-17/h4-13,21H,1,14H2,2-3H3
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n/an/a 3.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM49612
PNG
(4-[(1,5-dimethyl-4-nitro-3-pyrazolyl)azo]-N,N-diet...)
Show SMILES CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
Show InChI InChI=1S/C15H20N6O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-15-14(21(22)23)11(3)19(4)18-15/h7-10H,5-6H2,1-4H3/b17-16+
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n/an/a 3.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75656
PNG
((3Z)-5-(hydroxyamino)-6-nitroso-3-phenacylidene-1,...)
Show SMILES ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
Show InChI InChI=1S/C12H10N4O4/c17-9(7-4-2-1-3-5-7)6-8-12(18)14-11(16-20)10(13-8)15-19/h1-5,19H,6H2,(H,13,15)(H,14,18)
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n/an/a 3.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75760
PNG
(4-(2-bromophenyl)azo-N,N-dimethylaniline | 4-[(2-b...)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
Show InChI InChI=1S/C14H14BrN3/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15/h3-10H,1-2H3/b17-16+
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n/an/a 3.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/a 3.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75610
PNG
(2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one...)
Show SMILES O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75704
PNG
(5-N-benzyl-4-N-(1,2-oxazol-3-yl)-1H-imidazole-4,5-...)
Show SMILES O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccon1
Show InChI InChI=1S/C15H13N5O3/c21-14(16-8-10-4-2-1-3-5-10)12-13(18-9-17-12)15(22)19-11-6-7-23-20-11/h1-7,9H,8H2,(H,16,21)(H,17,18)(H,19,20,22)
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n/an/a 3.88E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75702
PNG
(4-N-(1,2-oxazol-3-yl)-5-N-[(1R)-1-phenylethyl]-1H-...)
Show SMILES C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
Show InChI InChI=1S/C16H15N5O3/c1-10(11-5-3-2-4-6-11)19-15(22)13-14(18-9-17-13)16(23)20-12-7-8-24-21-12/h2-10H,1H3,(H,17,18)(H,19,22)(H,20,21,23)/t10-/m1/s1
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n/an/a 3.93E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53353
PNG
(4-[(7-chloranyl-2-methoxy-1,5-dihydrobenzo[b][1,5]...)
Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
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n/an/a 4.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75622
PNG
(1-cyclohexyl-3-[2-(3,4-diethoxyphenyl)ethanoylamin...)
Show SMILES CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
Show InChI InChI=1S/C19H29N3O3S/c1-3-24-16-11-10-14(12-17(16)25-4-2)13-18(23)21-22-19(26)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,21,23)(H2,20,22,26)
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n/an/a 4.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM51349
PNG
(2-(8-amino-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazep...)
Show SMILES COc1ccc(cc1)C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N8O2/c1-29-10-4-2-9(3-5-10)11-7-15(28,16(17,18)19)27(25-11)14-24-23-12(20)6-13-21-8-22-26(13)14/h2-5,8,28H,6-7H2,1H3,(H2,20,23)
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n/an/a 4.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75634
PNG
(2-(8-amino-9H-[1,2,4]triazolo[1,5-d][1,2,4]triazep...)
Show SMILES COc1ccccc1C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N8O2/c1-29-11-5-3-2-4-9(11)10-7-15(28,16(17,18)19)27(25-10)14-24-23-12(20)6-13-21-8-22-26(13)14/h2-5,8,28H,6-7H2,1H3,(H2,20,23)
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n/an/a 4.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM34868
PNG
(1-ethyl-2-methyl-N'-[(E)-(5-oxidanyl-6-oxidanylide...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O
Show InChI InChI=1S/C18H18N4O3/c1-3-22-11(2)20-14-9-12(7-8-15(14)22)18(25)21-19-10-13-5-4-6-16(23)17(13)24/h4-10,23-24H,3H2,1-2H3,(H,21,25)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75703
PNG
(4-[[4-(isoxazol-3-ylcarbamoyl)-1H-imidazole-5-carb...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)Nc1ccon1
Show InChI InChI=1S/C18H24N6O5/c1-18(2,3)29-17(27)24-7-4-11(5-8-24)21-15(25)13-14(20-10-19-13)16(26)22-12-6-9-28-23-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,19,20)(H,21,25)(H,22,23,26)
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n/an/a 4.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75675
PNG
(1-[2-(3,4-dichlorophenyl)ethanoylamino]-3-(oxolan-...)
Show SMILES Clc1ccc(CC(=O)NNC(=S)NCC2CCCO2)cc1Cl
Show InChI InChI=1S/C14H17Cl2N3O2S/c15-11-4-3-9(6-12(11)16)7-13(20)18-19-14(22)17-8-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,18,20)(H2,17,19,22)
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n/an/a 4.96E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75661
PNG
(4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl...)
Show SMILES Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
Show InChI InChI=1S/C26H31N9O2/c1-19-28-25-21-9-5-6-10-22(21)29-26(35(25)32-19)31-30-24(37)12-11-23(36)27-13-14-33-15-17-34(18-16-33)20-7-3-2-4-8-20/h2-10H,11-18H2,1H3,(H,27,36)(H,29,31)(H,30,37)
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n/an/a 4.98E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM59281
PNG
(2-(2-methylpropanoylcarbamothioylamino)-N-phenyl-b...)
Show SMILES CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-12(2)16(22)21-18(24)20-15-11-7-6-10-14(15)17(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,23)(H2,20,21,22,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM65665
PNG
(1-[(2-bromobenzoyl)amino]-3-cyclohexyl-thiourea | ...)
Show SMILES Brc1ccccc1C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C14H18BrN3OS/c15-12-9-5-4-8-11(12)13(19)17-18-14(20)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,19)(H2,16,18,20)
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n/an/a 5.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM63469
PNG
(1-[(1-ethyl-2-methyl-benzimidazol-5-yl)carbonylami...)
Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C18H19N5OS/c1-3-23-12(2)19-15-11-13(9-10-16(15)23)17(24)21-22-18(25)20-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,21,24)(H2,20,22,25)
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n/an/a 5.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75625
PNG
(MLS000582492 | N-(3-methylbutyl)-4-[(2-methyl-[1,2...)
Show SMILES CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C19H25N7O2/c1-12(2)10-11-20-16(27)8-9-17(28)23-24-19-22-15-7-5-4-6-14(15)18-21-13(3)25-26(18)19/h4-7,12H,8-11H2,1-3H3,(H,20,27)(H,22,24)(H,23,28)
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n/an/a 5.04E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM49122
PNG
(2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propi...)
Show SMILES NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
Show InChI InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)
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n/an/a 5.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75677
PNG
(1-[(2-bromobenzoyl)amino]-3-(2-furfuryl)thiourea |...)
Show SMILES Brc1ccccc1C(=O)NNC(=S)NCc1ccco1
Show InChI InChI=1S/C13H12BrN3O2S/c14-11-6-2-1-5-10(11)12(18)16-17-13(20)15-8-9-4-3-7-19-9/h1-7H,8H2,(H,16,18)(H2,15,17,20)
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n/an/a 5.39E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM52332
PNG
((E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1
Show InChI InChI=1S/C16H12ClN3O3S/c1-9-18-16(20-19-9)24-14(15(21)22)8-12-6-7-13(23-12)10-2-4-11(17)5-3-10/h2-8H,1H3,(H,21,22)(H,18,19,20)
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n/an/a 5.43E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75684
PNG
(1-cyclohexyl-3-[(3-methylthiophen-2-yl)carbonylami...)
Show SMILES Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1
Show InChI InChI=1S/C13H19N3OS2/c1-9-7-8-19-11(9)12(17)15-16-13(18)14-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)(H2,14,16,18)
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n/an/a 5.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75658
PNG
(1,2-bis(6-fluoranyl-1H-benzimidazol-2-yl)ethane-1,...)
Show SMILES OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C16H12F2N4O2/c17-7-1-3-9-11(5-7)21-15(19-9)13(23)14(24)16-20-10-4-2-8(18)6-12(10)22-16/h1-6,13-14,23-24H,(H,19,21)(H,20,22)
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n/an/a 5.85E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75639
PNG
(1-(phenylmethyl)-3-[3-(4-propan-2-yloxyphenyl)prop...)
Show SMILES CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-15(2)25-18-11-8-16(9-12-18)10-13-19(24)22-23-20(26)21-14-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,22,24)(H2,21,23,26)
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n/an/a 6.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75659
PNG
(1-[[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-d...)
Show SMILES COc1ccc(O)c(C=NNC(=S)NCCc2ccccc2)c1
Show InChI InChI=1S/C17H19N3O2S/c1-22-15-7-8-16(21)14(11-15)12-19-20-17(23)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,21H,9-10H2,1H3,(H2,18,20,23)
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n/an/a 6.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75756
PNG
((E)-1-(2-furanyl)-3-(2-hydroxyphenyl)-2-propen-1-o...)
Show SMILES Oc1ccccc1\C=C\C(=O)c1ccco1
Show InChI InChI=1S/C13H10O3/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H/b8-7+
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n/an/a 6.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53236
PNG
(4-(3-methyl-1-piperidinyl)-N'-(2-methyl-[1,2,4]tri...)
Show SMILES CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C20H25N7O2/c1-13-6-5-11-26(12-13)18(29)10-9-17(28)23-24-20-22-16-8-4-3-7-15(16)19-21-14(2)25-27(19)20/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,22,24)(H,23,28)
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n/an/a 6.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM52820
PNG
(2-(3,5-Dimethyl-pyrazol-1-yl)-4-[N'-(4,6-dimet...)
Show SMILES CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H22N8O2/c1-6-28-16(27)14-9-19-18(26-13(5)8-12(4)25-26)22-15(14)23-24-17-20-10(2)7-11(3)21-17/h7-9H,6H2,1-5H3,(H,19,22,23)(H,20,21,24)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM58625
PNG
(MLS000923798 | N'-[3-[(5Z)-5-(2-chlorobenzylidene)...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H16ClN3O4S2/c21-14-7-3-1-5-12(14)11-16-19(28)24(20(29)30-16)10-9-17(26)22-23-18(27)13-6-2-4-8-15(13)25/h1-8,11,25H,9-10H2,(H,22,26)(H,23,27)/b16-11-
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n/an/a 6.65E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75674
PNG
(4-methyl-N-[3-(methylthio)-1-[[(2-morpholinothiazo...)
Show SMILES CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C20H27N5O5S3/c1-14-3-5-15(6-4-14)33(28,29)24-16(7-12-31-2)18(26)22-23-19(27)17-13-32-20(21-17)25-8-10-30-11-9-25/h3-6,13,16,24H,7-12H2,1-2H3,(H,22,26)(H,23,27)
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n/an/a 6.66E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75692
PNG
(MLS001235951 | N'-[1-(3-methylphenyl)-4-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
Show InChI InChI=1S/C17H14N6O2/c1-11-4-2-5-12(8-11)23-16-13(9-20-23)15(18-10-19-16)21-22-17(24)14-6-3-7-25-14/h2-10H,1H3,(H,22,24)(H,18,19,21)
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n/an/a 6.69E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM59309
PNG
(1-[(2-ethyl-4-hydroxy-1-oxo-5-propoxypentyl)amino]...)
Show SMILES CCCOCC(O)CC(CC)C(=O)NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C17H27N3O3S/c1-3-10-23-12-15(21)11-13(4-2)16(22)19-20-17(24)18-14-8-6-5-7-9-14/h5-9,13,15,21H,3-4,10-12H2,1-2H3,(H,19,22)(H2,18,20,24)
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n/an/a 6.95E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75694
PNG
(2-fluoranyl-N-[4-methylsulfanyl-1-[2-[(2-morpholin...)
Show SMILES CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C19H24FN5O5S3/c1-31-11-6-14(24-33(28,29)16-5-3-2-4-13(16)20)17(26)22-23-18(27)15-12-32-19(21-15)25-7-9-30-10-8-25/h2-5,12,14,24H,6-11H2,1H3,(H,22,26)(H,23,27)
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n/an/a 7.01E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM65289
PNG
((E)-N-[(salicyloylamino)thiocarbamoyl]-3-(2-thieny...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
Show InChI InChI=1S/C15H13N3O3S2/c19-12-6-2-1-5-11(12)14(21)17-18-15(22)16-13(20)8-7-10-4-3-9-23-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)/b8-7+
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n/an/a 7.04E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM65353
PNG
(4-bromanyl-N'-[(E)-(4-ethoxy-6-oxidanylidene-cyclo...)
Show SMILES CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1
Show InChI InChI=1S/C13H13BrN4O3/c1-2-21-9-4-3-8(11(19)5-9)6-15-18-13(20)12-10(14)7-16-17-12/h3-7,19H,2H2,1H3,(H,16,17)(H,18,20)/b15-6+
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n/an/a 7.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75689
PNG
(MLS001075932 | N-(nicotinamidothiocarbamoyl)benzam...)
Show SMILES O=C(NNC(=S)NC(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H12N4O2S/c19-12(10-5-2-1-3-6-10)16-14(21)18-17-13(20)11-7-4-8-15-9-11/h1-9H,(H,17,20)(H2,16,18,19,21)
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n/an/a 7.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75705
PNG
(5-N-benzyl-5-N-methyl-4-N-(1,3-thiazol-2-yl)-1H-im...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)Nc1nccs1
Show InChI InChI=1S/C16H15N5O2S/c1-21(9-11-5-3-2-4-6-11)15(23)13-12(18-10-19-13)14(22)20-16-17-7-8-24-16/h2-8,10H,9H2,1H3,(H,18,19)(H,17,20,22)
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n/an/a 7.48E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM64586
PNG
(3-Hydroxy-2-{N'-[1-(2-hydroxy-naphthalen-1-yl)...)
Show SMILES Oc1ccc2ccccc2c1CN=Nc1nc2ccccc2c(=O)n1O
Show InChI InChI=1S/C19H14N4O3/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-22-19-21-16-8-4-3-7-14(16)18(25)23(19)26/h1-10,24,26H,11H2
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n/an/a 7.53E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM65711
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-[4-(dieth...)
Show SMILES CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1
Show InChI InChI=1S/C19H25N9O3/c1-5-27(6-2)13-8-7-12(14(29)9-13)10-21-23-19(30)15-16(11(3)4)28(26-22-15)18-17(20)24-31-25-18/h7-11,29H,5-6H2,1-4H3,(H2,20,24)(H,23,30)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75697
PNG
(MLS002163808 | N-[3-[2-[2-(4-bromanylphenoxy)ethan...)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NNC(=O)COc1ccc(Br)cc1
Show InChI InChI=1S/C19H22BrN3O5S/c1-13-3-8-17(11-14(13)2)29(26,27)21-10-9-18(24)22-23-19(25)12-28-16-6-4-15(20)5-7-16/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)
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n/an/a 8.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM58504
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(Z)-...)
Show SMILES Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C17H14N8O3/c1-9-14(20-24-25(9)16-15(18)22-28-23-16)17(27)21-19-8-12-11-5-3-2-4-10(11)6-7-13(12)26/h2-8,26H,1H3,(H2,18,22)(H,21,27)
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n/an/a 9.52E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75698
PNG
(MLS002161453 | N-(1H-benzimidazol-2-yl)-2-(brosyla...)
Show SMILES CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H15BrN4O3S/c1-10(21-25(23,24)12-8-6-11(17)7-9-12)15(22)20-16-18-13-4-2-3-5-14(13)19-16/h2-10,21H,1H3,(H2,18,19,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75758
PNG
((1Z)-1-(4-nitrophenyl)ethanone (2-nitrophenyl)hydr...)
Show SMILES CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N4O4/c1-10(11-6-8-12(9-7-11)17(19)20)15-16-13-4-2-3-5-14(13)18(21)22/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM62366
PNG
(2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [3-cy...)
Show SMILES Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H16BrN3O3S/c1-12-8-13(21)6-7-18(12)28-11-19(26)27-10-17(25)14(9-22)20-23-15-4-2-3-5-16(15)24-20/h2-8,14H,10-11H2,1H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39724
PNG
(4-(2-benzylsulfanylethyl)pyridine;phosphoric acid ...)
Show SMILES C(Cc1ccncc1)SCc1ccccc1
Show InChI InChI=1S/C14H15NS/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13/h1-7,9-10H,8,11-12H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75648
PNG
(1-N'-[(Z)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylid...)
Show SMILES CCOc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O
Show InChI InChI=1S/C20H22N4O6/c1-3-29-17-9-13(5-7-15(17)25)11-21-23-19(27)20(28)24-22-12-14-6-8-16(26)18(10-14)30-4-2/h5-12,25-26H,3-4H2,1-2H3,(H,23,27)(H,24,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
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>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM52555
PNG
(2-nitro-N-[(salicyloylamino)thiocarbamoyl]benzamid...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O5S/c20-12-8-4-2-6-10(12)14(22)17-18-15(25)16-13(21)9-5-1-3-7-11(9)19(23)24/h1-8,20H,(H,17,22)(H2,16,18,21,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75640
PNG
(5-(1,1-Dimethyl-propyl)-4,5,6,7-tetrahydro-1H-inda...)
Show SMILES CCC(C)(C)C1CCc2n[nH]c(C(=O)NN=C(C)c3ccco3)c2C1
Show InChI InChI=1S/C19H26N4O2/c1-5-19(3,4)13-8-9-15-14(11-13)17(22-21-15)18(24)23-20-12(2)16-7-6-10-25-16/h6-7,10,13H,5,8-9,11H2,1-4H3,(H,21,22)(H,23,24)/b20-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75695
PNG
(MLS002180760 | N'-[2-(3-methylphenoxy)-1-oxoethyl]...)
Show SMILES Cc1cccc(OCC(=O)NNC(=O)c2ccc3nc[nH]c3c2)c1
Show InChI InChI=1S/C17H16N4O3/c1-11-3-2-4-13(7-11)24-9-16(22)20-21-17(23)12-5-6-14-15(8-12)19-10-18-14/h2-8,10H,9H2,1H3,(H,18,19)(H,20,22)(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM64222
PNG
(2,4-dimethyl-5-[[[(E)-(3-nitro-6-oxo-1-cyclohexa-2...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C
Show InChI InChI=1S/C17H17N4O6/c1-4-27-17(24)14-9(2)15(19-10(14)3)16(23)20-18-8-11-7-12(21(25)26)5-6-13(11)22/h5-8,19H,4H2,1-3H3,(H,20,23)/q-1/p+1/b18-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50210
PNG
(4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxyli...)
Show SMILES Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O
Show InChI InChI=1S/C12H12N4O4/c1-6-10(14-16-11(6)19)12(20)15-13-5-7-2-3-8(17)4-9(7)18/h2-5,17-18H,1H3,(H,15,20)(H2,14,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%