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Compile Data Set for Download or QSAR

Found 97 hits of ec50 data for polymerid = 4825   
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
Alpi


(Rattus norvegicus (Rat))
BDBM76159
PNG
(MLS001096125 | N-(3-fluoranyl-4-methyl-phenyl)-3-[...)
Show SMILES Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F
Show InChI InChI=1S/C17H16FN3O5S/c1-10-2-3-11(8-13(10)18)20-16(22)6-7-19-27(24,25)12-4-5-14-15(9-12)26-17(23)21-14/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H,21,23)
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n/an/an/an/a 1.76E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39759
PNG
(2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethy...)
Show SMILES CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H18N4O3S3/c1-2-24-18(11-29-20-21-13-5-3-4-6-17(13)30-20)22-23-19(24)28-10-16(27)12-7-8-14(25)15(26)9-12/h3-9,25-26H,2,10-11H2,1H3
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n/an/an/an/a 1.84E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60951
PNG
(MLS001158810 | N-(1,1-diketothiolan-3-yl)-2-[(5Z)-...)
Show SMILES O=C(CN1C(=S)S\C(=C/c2ccco2)C1=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C14H14N2O5S3/c17-12(15-9-3-5-24(19,20)8-9)7-16-13(18)11(23-14(16)22)6-10-2-1-4-21-10/h1-2,4,6,9H,3,5,7-8H2,(H,15,17)/b11-6-
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n/an/an/an/a 2.03E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50729
PNG
(MLS000778639 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
Show InChI InChI=1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10-
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n/an/an/an/a 3.13E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53205
PNG
(1,3-bis[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-...)
Show SMILES O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1
Show InChI InChI=1S/C15H14N4O5/c20-11-3-1-9(5-13(11)22)7-16-18-15(24)19-17-8-10-2-4-12(21)14(23)6-10/h5-8H,1-4H2,(H2,18,19,24)
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n/an/an/an/a 4.96E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM46229
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S2/c17-12-6-5-10(9-15(12)24(18,21)22)16(20)19-13-7-8-23-14-4-2-1-3-11(13)14/h1-6,9,13H,7-8H2,(H,19,20)(H2,18,21,22)
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n/an/an/an/a 5.57E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50703
PNG
(3-[1-(3,4-Dihydroxy-phenyl)-meth-(E)-ylidene]-4-im...)
Show SMILES CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21
Show InChI InChI=1S/C18H13N3O5S2/c1-28(25,26)10-3-4-12-15(8-10)27-18-20-17(24)11(16(19)21(12)18)6-9-2-5-13(22)14(23)7-9/h2-8,23H,19H2,1H3/b9-6-
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n/an/an/an/a 6.35E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60895
PNG
(4-[3-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
Show InChI InChI=1S/C18H14N2O6S2/c21-13-8-10(3-4-12(13)17(24)25)19-15(22)5-6-20-16(23)14(28-18(20)27)9-11-2-1-7-26-11/h1-4,7-9,21H,5-6H2,(H,19,22)(H,24,25)/b14-9-
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n/an/an/an/a 7.32E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM65301
PNG
(3,4,5-trihydroxybenzohydrazide | 3,4,5-tris(oxidan...)
Show SMILES NNC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H8N2O4/c8-9-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12H,8H2,(H,9,13)
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n/an/an/an/a 8.04E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM52992
PNG
(4,5,7,8-tetrahydroxy-1,2-naphthoquinone | 4,5,7,8-...)
Show SMILES Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
Show InChI InChI=1S/C10H6O6/c11-3-1-5(13)9(15)8-7(3)4(12)2-6(14)10(8)16/h1,11,13,15H,2H2
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n/an/an/an/a 9.93E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76164
PNG
(2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-...)
Show SMILES Cc1sc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c(=O)c2c1C
Show InChI InChI=1S/C16H16N4O4S3/c1-8-9(2)26-15-13(8)14(22)19-16(20-15)25-7-12(21)18-10-4-3-5-11(6-10)27(17,23)24/h3-6H,7H2,1-2H3,(H,18,21)(H2,17,23,24)(H,19,20,22)
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n/an/an/an/a 1.21E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76153
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[(Z)-4-methox...)
Show SMILES COc1ccc(cc1)\N=C1/SC(CC(=O)N1CCc1ccc(OC)c(OC)c1)C(N)=O
Show InChI InChI=1S/C22H25N3O5S/c1-28-16-7-5-15(6-8-16)24-22-25(20(26)13-19(31-22)21(23)27)11-10-14-4-9-17(29-2)18(12-14)30-3/h4-9,12,19H,10-11,13H2,1-3H3,(H2,23,27)/b24-22-
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n/an/an/an/a 1.33E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76158
PNG
(MLS001096124 | N-(2-chloranyl-4-methyl-phenyl)-3-[...)
Show SMILES Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)c1
Show InChI InChI=1S/C17H16ClN3O5S/c1-10-2-4-13(12(18)8-10)20-16(22)6-7-19-27(24,25)11-3-5-14-15(9-11)26-17(23)21-14/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H,21,23)
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n/an/an/an/a 1.49E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76165
PNG
(2-[[2-[2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]m...)
Show SMILES CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H23N5O7S/c1-27(12-13-29)17-8-6-16(7-9-17)15-24-25-21-11-10-18(28(32)33)14-22(21)36(34,35)26-20-5-3-2-4-19(20)23(30)31/h2-11,14,26,29H,12-13,15H2,1H3,(H,30,31)
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n/an/an/an/a 1.75E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM55150
PNG
((4Z)-2-hydroxy-4-[[2-[(Z)-(3-hydroxy-4-oxocyclohex...)
Show SMILES Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C14H12N2O4/c17-11-3-1-9(5-13(11)19)7-15-16-8-10-2-4-12(18)14(20)6-10/h1-8,17-20H
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n/an/an/an/a 1.80E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50269745
PNG
(CHEMBL463175 | Cephalochromin | cid_160115)
Show SMILES CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12
Show InChI InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3
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n/an/an/an/a 1.91E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76160
PNG
(MLS001096135 | N-(3-chloranyl-4-methoxy-phenyl)-3-...)
Show SMILES COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C17H16ClN3O6S/c1-26-14-5-2-10(8-12(14)18)20-16(22)6-7-19-28(24,25)11-3-4-13-15(9-11)27-17(23)21-13/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)(H,21,23)
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n/an/an/an/a 2.05E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50993
PNG
((6E)-5-azanylidene-3-methylsulfanyl-6-[(6-oxidanyl...)
Show SMILES CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12
Show InChI InChI=1S/C16H10N4O4S2/c1-25-16-19-26-15-18-14(23)10(13(17)20(15)16)4-7-6-24-11-3-2-8(21)5-9(11)12(7)22/h2-6,17,21H,1H3/b10-4+,17-13?
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n/an/an/an/a 2.08E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM40697
PNG
(4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1,2...)
Show SMILES Oc1ccc(cc1O)-c1cn2CCSc2n1
Show InChI InChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2
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n/an/an/an/a 2.10E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50489
PNG
((5E)-5-[(5-methyl-2-furanyl)methylidene]-4-sulfany...)
Show SMILES Cc1ccc(C=C2SC(O)=NC2=S)o1
Show InChI InChI=1S/C9H7NO2S2/c1-5-2-3-6(12-5)4-7-8(13)10-9(11)14-7/h2-4H,1H3,(H,10,11,13)
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n/an/an/an/a 2.18E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM34475
PNG
(9-bromanyl-4-oxidanyl-6H-chromeno[2,3-b]indol-3-on...)
Show SMILES Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
Show InChI InChI=1S/C15H8BrNO3/c16-8-2-3-11-9(6-8)10-5-7-1-4-12(18)13(19)14(7)20-15(10)17-11/h1-6,17,19H
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n/an/an/an/a 2.21E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM43818
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzox...)
Show SMILES CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
Show InChI InChI=1S/C33H29N2O2/c1-3-34-28-22-26(24-12-7-5-8-13-24)18-20-30(28)36-32(34)16-11-17-33-35(4-2)29-23-27(19-21-31(29)37-33)25-14-9-6-10-15-25/h5-23H,3-4H2,1-2H3/q+1
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n/an/an/an/a 2.22E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75683
PNG
(1-(4-tert-butylcyclohexyl)-3-(1-phenylethyl)thiour...)
Show SMILES CC(NC(=S)NC1CCC(CC1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C19H30N2S/c1-14(15-8-6-5-7-9-15)20-18(22)21-17-12-10-16(11-13-17)19(2,3)4/h5-9,14,16-17H,10-13H2,1-4H3,(H2,20,21,22)
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n/an/an/an/a 2.24E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76161
PNG
(2,4,5-trimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-...)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
Show InChI InChI=1S/C17H18N4O3S2/c1-10-6-12(3)16(7-11(10)2)26(23,24)21-13-4-5-14(22)15(8-13)25-17-18-9-19-20-17/h4-9,21-22H,1-3H3,(H,18,19,20)
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n/an/an/an/a 2.47E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53069
PNG
(4-[2-(2-pyridinylamino)-4-thiazolyl]benzene-1,2-di...)
Show SMILES Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1
Show InChI InChI=1S/C14H11N3O2S/c18-11-5-4-9(7-12(11)19)10-8-20-14(16-10)17-13-3-1-2-6-15-13/h1-8,18-19H,(H,15,16,17)
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n/an/an/an/a 2.49E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39769
PNG
(2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)...)
Show SMILES Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C25H24N4/c1-16-11-17(2)13-18(12-16)14-19(25-28-22-9-5-6-10-23(22)29-25)15-24-26-20-7-3-4-8-21(20)27-24/h3-13,19H,14-15H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a 2.66E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM57356
PNG
(2-[1-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)prop...)
Show SMILES Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C24H22N4/c1-16-7-6-8-17(13-16)14-18(24-27-21-11-4-5-12-22(21)28-24)15-23-25-19-9-2-3-10-20(19)26-23/h2-13,18H,14-15H2,1H3,(H,25,26)(H,27,28)
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n/an/an/an/a 2.89E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50578
PNG
(3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl...)
Show SMILES OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)
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n/an/an/an/a 3.37E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75657
PNG
(1-[[1-(2-chlorobenzyl)-4-piperidyl]methyl]-3-(3,4,...)
Show SMILES COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC
Show InChI InChI=1S/C23H30ClN3O4/c1-29-20-12-18(13-21(30-2)22(20)31-3)26-23(28)25-14-16-8-10-27(11-9-16)15-17-6-4-5-7-19(17)24/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H2,25,26,28)
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n/an/an/an/a 3.39E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM57870
PNG
((2Z)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...)
Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
Show InChI InChI=1S/C24H23N2S2/c1-4-25-18(8-7-17-14-16(3)6-9-20(17)25)15-23-26(5-2)24-19-12-13-27-21(19)10-11-22(24)28-23/h6-15H,4-5H2,1-3H3/q+1
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n/an/an/an/a 3.55E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM61242
PNG
(4-methyl-N-[5-[2-oxidanylidene-2-[2-[(Z)-(3-oxidan...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1
Show InChI InChI=1S/C19H17N5O4S/c1-11-2-5-13(6-3-11)18(28)21-19-24-23-17(29-19)9-16(27)22-20-10-12-4-7-14(25)15(26)8-12/h2-8,10,25-26H,9H2,1H3,(H,22,27)(H,21,24,28)
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n/an/an/an/a 3.72E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76162
PNG
(5-bromo-2-furancarboxylic acid [2-[(5-nitro-2-thia...)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccc(Br)o2)s1
Show InChI InChI=1S/C10H6BrN3O6S/c11-6-2-1-5(20-6)9(16)19-4-7(15)13-10-12-3-8(21-10)14(17)18/h1-3H,4H2,(H,12,13,15)
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n/an/an/an/a 3.99E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76163
PNG
(Luteoskyrin | MLS000563067 | SMR001215838 | cid_44...)
Show SMILES Cc1cc(O)c2C(O)=C3C(=O)[C@@H]4[C@@H](O)[C@H]5[C@@H]6[C@H](O)[C@@H](C(=O)C7=C(O)c8c(O)cc(C)c(O)c8C(=O)[C@@]467)[C@@]35C(=O)c2c1O
Show InChI InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-38H,1-2H3/t13-,14-,17+,18+,23+,24+,29+,30+/m1/s1
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n/an/an/an/a 4.31E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM57483
PNG
(MLS000581688 | N-[4-[(3-methylbutanoylcarbamothioy...)
Show SMILES CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C20H28N4O3S/c1-13(2)12-17(25)22-20(28)24-23-19(27)15-8-10-16(11-9-15)21-18(26)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,25,28)
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n/an/an/an/a 4.32E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75676
PNG
(1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-N-[3-...)
Show SMILES CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C26H31FN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)
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n/an/an/an/a 4.99E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60950
PNG
(4-[2-[(5E)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...)
Show SMILES CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-12(17(24)25)13(21)7-10)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8+
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n/an/an/an/a 5.12E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75664
PNG
(MLS001083067 | N-[2-(1-o-anisyl-4-piperidyl)pyrazo...)
Show SMILES COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C26H32N4O2/c1-32-24-12-6-5-11-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,14,17,23H,7,10,13,15-16,18-20H2,1H3,(H,28,31)
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n/an/an/an/a 5.13E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM64368
PNG
(MLS001096044 | N-(5-chloranyl-2,4-dimethoxy-phenyl...)
Show SMILES COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C18H18ClN3O7S/c1-22(30(25,26)10-4-5-12-16(6-10)29-18(24)21-12)9-17(23)20-13-7-11(19)14(27-2)8-15(13)28-3/h4-8H,9H2,1-3H3,(H,20,23)(H,21,24)
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n/an/an/an/a 5.15E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75655
PNG
(1-[[1-(2-methylbenzyl)-4-piperidyl]methyl]-3-(3,4,...)
Show SMILES COc1cc(NC(=O)NCC2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC
Show InChI InChI=1S/C24H33N3O4/c1-17-7-5-6-8-19(17)16-27-11-9-18(10-12-27)15-25-24(28)26-20-13-21(29-2)23(31-4)22(14-20)30-3/h5-8,13-14,18H,9-12,15-16H2,1-4H3,(H2,25,26,28)
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n/an/an/an/a 5.26E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM69393
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydroc...)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
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n/an/an/an/a 5.41E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75672
PNG
(MLS001072560 | N-(6,6-dimethyl-1-phenyl-5,7-dihydr...)
Show SMILES Cc1cc([nH]n1)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-13-9-16(24-23-13)19(26)22-17-10-20(2,3)11-18-15(17)12-21-25(18)14-7-5-4-6-8-14/h4-9,12,17H,10-11H2,1-3H3,(H,22,26)(H,23,24)
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n/an/an/an/a 5.51E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76154
PNG
((5Z)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2-...)
Show SMILES Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1
Show InChI InChI=1S/C10H10N2OS2/c1-5-3-7(6(2)11-5)4-8-9(13)12-10(14)15-8/h3-4,11H,1-2H3,(H,12,13,14)/b8-4-
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n/an/an/an/a 5.66E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76157
PNG
(MLS001096064 | N-(2,4-dimethylphenyl)-2-[(2-keto-3...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C18H19N3O5S/c1-11-4-6-14(12(2)8-11)19-17(22)10-21(3)27(24,25)13-5-7-15-16(9-13)26-18(23)20-15/h4-9H,10H2,1-3H3,(H,19,22)(H,20,23)
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n/an/an/an/a 5.79E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


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Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75686
PNG
(MLS001072358 | N-[2-[1-(4-fluoro-3-methoxy-benzyl)...)
Show SMILES COc1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)ccc1F
Show InChI InChI=1S/C26H31FN4O2/c1-33-24-18-21(10-11-23(24)27)19-30-16-13-22(14-17-30)31-25(12-15-28-31)29-26(32)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,18,22H,5,8-9,13-14,16-17,19H2,1H3,(H,29,32)
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n/an/an/an/a 5.82E+4n/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...


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM53221
PNG
(2-[2-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-yli...)
Show SMILES Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C12H12N4O3/c1-7-4-11(19)15-12(14-7)16-13-6-8-2-3-9(17)10(18)5-8/h2-5,17-18H,6H2,1H3,(H,14,15,19)
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n/an/an/an/a 5.87E+4n/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...


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50629
PNG
((5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-3-(4-hy...)
Show SMILES Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C16H11NO3S2/c18-12-8-6-11(7-9-12)17-15(19)14(22-16(17)21)5-1-3-13-4-2-10-20-13/h1-10,18H/b3-1+,14-5-
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n/an/an/an/a 5.90E+4n/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...


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50606
PNG
(5-amino-6-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-die...)
Show SMILES Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12
Show InChI InChI=1S/C19H13N3O3S/c20-17-13(8-11-6-7-15(23)16(24)9-11)18(25)21-19-22(17)14(10-26-19)12-4-2-1-3-5-12/h1-10,24H,20H2/b11-8-
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n/an/an/an/a 5.93E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60859
PNG
(5-[(5-bromanylthiophen-2-yl)methylidene]-2-sulfany...)
Show SMILES Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
Show InChI InChI=1S/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
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n/an/an/an/a 5.97E+4n/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...


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More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM58701
PNG
(1-cyclohexyl-3-(1-p-cumenylpropyl)thiourea | 1-cyc...)
Show SMILES CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C19H30N2S/c1-4-18(16-12-10-15(11-13-16)14(2)3)21-19(22)20-17-8-6-5-7-9-17/h10-14,17-18H,4-9H2,1-3H3,(H2,20,21,22)
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n/an/an/an/a 6.01E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM60889
PNG
(2-[(5E)-5-(3,4-dihydroxybenzylidene)-4-keto-2-thio...)
Show SMILES OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C18H13NO5S2/c20-12-7-6-10(8-13(12)21)9-14-16(22)19(18(25)26-14)15(17(23)24)11-4-2-1-3-5-11/h1-9,15,20-21H,(H,23,24)/b14-9+
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n/an/an/an/a 6.10E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
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