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PubChem AID 488875

Compile data set for download or QSAR
Found 44 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))
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/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75706
PNG
(MLS002248235 | N'-(3,5-dimethoxybenzoyl)-3-methyl-...)
Show SMILES COc1cc(OC)cc(c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C19H18N4O5/c1-23-19(26)15-7-5-4-6-14(15)16(22-23)18(25)21-20-17(24)11-8-12(27-2)10-13(9-11)28-3/h4-10H,1-3H3,(H,20,24)(H,21,25)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75660
PNG
((2E)-3-(5-bromanylthiophen-2-yl)-2-(3-methyl-1H-be...)
Show SMILES Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C15H10BrN3OS/c1-19-11-5-3-2-4-10(11)18-15(19)9(8-17)14(20)12-6-7-13(16)21-12/h2-7,9H,1H3
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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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75761
PNG
(2-[(5-phenyl-1H-pyrazol-3-yl)carbamoyl]benzoic aci...)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O3/c21-16(12-8-4-5-9-13(12)17(22)23)18-15-10-14(19-20-15)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,20,21)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

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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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75614
PNG
(2-(4-Methyl-quinazolin-2-ylamino)-1,5,6,7-tetrahyd...)
Show SMILES Cc1nc(Nc2nc3CCCc3c(=O)[nH]2)nc2ccccc12
Show InChI InChI=1S/C16H15N5O/c1-9-10-5-2-3-7-12(10)18-15(17-9)21-16-19-13-8-4-6-11(13)14(22)20-16/h2-3,5,7H,4,6,8H2,1H3,(H2,17,18,19,20,21,22)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75654
PNG
(4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinoca...)
Show SMILES Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O3S/c16-10-7-5-9(6-8-10)13(21)17-15(23)19-18-14(22)11-3-1-2-4-12(11)20/h1-8,20H,(H,18,22)(H2,17,19,21,23)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75700
PNG
(MLS002170417 | N-[3-[[(4-keto-3H-phthalazine-1-car...)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C18H15N5O4/c1-10(24)19-12-6-4-5-11(9-12)16(25)21-23-18(27)15-13-7-2-3-8-14(13)17(26)22-20-15/h2-9H,1H3,(H,19,24)(H,21,25)(H,22,26)(H,23,27)
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Burnham Center for Chemical Genomics

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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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM39629
PNG
(4-[3-(3-pyridinyl)-1H-1,2,4-triazol-5-yl]-4-azatri...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1c1n[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C16H13N5O2/c22-14-11-8-3-4-9(6-8)12(11)15(23)21(14)16-18-13(19-20-16)10-2-1-5-17-7-10/h1-5,7-9,11-12H,6H2,(H,18,19,20)
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Burnham Center for Chemical Genomics

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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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75613
PNG
((2Z)-9-(3-chlorophenyl)-2-(5-ethoxy-6-keto-cyclohe...)
Show SMILES CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C20H16ClN5O4/c1-2-30-13-8-4-7-12(16(13)27)18-23-14(17(22)28)15-19(25-18)26(20(29)24-15)11-6-3-5-10(21)9-11/h3-9,27H,2H2,1H3,(H2,22,28)(H,24,29)
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Burnham Center for Chemical Genomics

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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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75668
PNG
(1-N',6-N'-bis(2-phenoxyacetyl)hexanedihydrazide | ...)
Show SMILES O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
Show InChI InChI=1S/C22H26N4O6/c27-19(23-25-21(29)15-31-17-9-3-1-4-10-17)13-7-8-14-20(28)24-26-22(30)16-32-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
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Burnham Center for Chemical Genomics

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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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75670
PNG
(2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methyl-...)
Show SMILES COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
Show InChI InChI=1S/C22H25N3O5S/c1-15-9-11-19(12-10-15)25(31(27,28)22-16(2)24-30-17(22)3)14-21(26)23-13-18-7-5-6-8-20(18)29-4/h5-12H,13-14H2,1-4H3,(H,23,26)
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n/an/an/an/a 6.75E+4n/an/an/an/a



Burnham Center for Chemical Genomics

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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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75688
PNG
(1-(4-methylphenyl)-3-[(3-oxidanylnaphthalen-2-yl)c...)
Show SMILES Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
Show InChI InChI=1S/C19H17N3O3/c1-12-6-8-15(9-7-12)20-19(25)22-21-18(24)16-10-13-4-2-3-5-14(13)11-17(16)23/h2-11,23H,1H3,(H,21,24)(H2,20,22,25)
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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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM45070
PNG
(4-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxyli...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O
Show InChI InChI=1S/C13H14N4O4/c1-7-10(15-17-12(7)19)13(20)16-14-6-8-4-3-5-9(21-2)11(8)18/h3-6,18H,1-2H3,(H,16,20)(H2,15,17,19)
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Burnham Center for Chemical Genomics

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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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75749
PNG
(2-[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1...)
Show SMILES Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
Show InChI InChI=1S/C16H16N4O3/c1-10-12(7-8-21)15(23)20(19-10)16-17-13(9-14(22)18-16)11-5-3-2-4-6-11/h2-6,9,19,21H,7-8H2,1H3,(H,17,18,22)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75662
PNG
(1-[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-...)
Show SMILES COc1ccccc1CCNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-9-11-24(12-10-19)35-21(3)26-20(2)31-32-28(27(26)33-35)34-17-14-23(15-18-34)29(36)30-16-13-22-7-5-6-8-25(22)37-4/h5-12,23H,13-18H2,1-4H3,(H,30,36)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75663
PNG
(MLS001072359 | N-[2-[1-(2-methylbenzyl)-4-piperidy...)
Show SMILES Cc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C26H32N4O/c1-21-8-5-6-12-23(21)20-29-18-15-24(16-19-29)30-25(14-17-27-30)28-26(31)13-7-11-22-9-3-2-4-10-22/h2-6,8-10,12,14,17,24H,7,11,13,15-16,18-20H2,1H3,(H,28,31)
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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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75682
PNG
(MLS001146570 | N-[(2-chloranyl-6-fluoranyl-phenyl)...)
Show SMILES Fc1cccc(Cl)c1C=NNC(=O)c1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H12ClFN4O/c15-10-2-1-3-11(16)9(10)7-17-20-14(21)13-6-12(18-19-13)8-4-5-8/h1-3,6-8H,4-5H2,(H,18,19)(H,20,21)/b17-7+
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM43795
PNG
(MLS-0093538.0001 | N'-[2-(3,5-dimethylphenoxy)-1-o...)
Show SMILES Cc1cc([nH]n1)C(=O)NNC(=O)COc1cc(C)cc(C)c1
Show InChI InChI=1S/C15H18N4O3/c1-9-4-10(2)6-12(5-9)22-8-14(20)18-19-15(21)13-7-11(3)16-17-13/h4-7H,8H2,1-3H3,(H,16,17)(H,18,20)(H,19,21)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75630
PNG
((4E)-2-(1H-benzimidazol-2-yl)-4-(dimethylaminometh...)
Show SMILES CN(C)C=c1c(=C)[nH]n(-c2nc3ccccc3[nH]2)c1=O
Show InChI InChI=1S/C14H15N5O/c1-9-10(8-18(2)3)13(20)19(17-9)14-15-11-6-4-5-7-12(11)16-14/h4-8,17H,1H2,2-3H3,(H,15,16)/b10-8+
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM66779
PNG
((5E)-N-(2,5-dimethoxyphenyl)-5-(3-methyl-6-oxidany...)
Show SMILES COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
Show InChI InChI=1S/C19H19N3O4/c1-11-4-6-17(23)13(8-11)14-10-16(22-21-14)19(24)20-15-9-12(25-2)5-7-18(15)26-3/h4-10,23H,1-3H3,(H,20,24)(H,21,22)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75665
PNG
(MLS001101286 | N-[2-[1-(2-ethoxybenzyl)-4-piperidy...)
Show SMILES CCOc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
Show InChI InChI=1S/C26H32N4O2/c1-2-32-24-11-7-6-10-22(24)20-29-18-15-23(16-19-29)30-25(14-17-27-30)28-26(31)13-12-21-8-4-3-5-9-21/h3-11,14,17,23H,2,12-13,15-16,18-20H2,1H3,(H,28,31)
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n/an/an/an/a 8.06E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75669
PNG
(5-(5-methyl-2-furanyl)-N'-[(E)-(6-oxo-1-cyclohexa-...)
Show SMILES Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O
Show InChI InChI=1S/C16H14N4O3/c1-10-6-7-15(23-10)12-8-13(19-18-12)16(22)20-17-9-11-4-2-3-5-14(11)21/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75679
PNG
(4-chloranyl-3-[[(2-hydroxyphenyl)carbonylamino]car...)
Show SMILES COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C22H20ClN3O6S/c1-26(18-8-4-6-10-20(18)32-2)33(30,31)14-11-12-17(23)16(13-14)22(29)25-24-21(28)15-7-3-5-9-19(15)27/h3-13,27H,1-2H3,(H,24,28)(H,25,29)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
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/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75623
PNG
(MLS000569184 | N-tert-Butyl-2-oxo-2-[N'-(2-phe...)
Show SMILES CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1
Show InChI InChI=1S/C14H19N3O4/c1-14(2,3)15-12(19)13(20)17-16-11(18)9-21-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,19)(H,16,18)(H,17,20)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75624
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid (2-hydroxy-5...)
Show SMILES Cc1ccc(O)c(C=NNC(=O)c2[nH]ncc2Br)c1
Show InChI InChI=1S/C12H11BrN4O2/c1-7-2-3-10(18)8(4-7)5-14-17-12(19)11-9(13)6-15-16-11/h2-6,18H,1H3,(H,15,16)(H,17,19)/b14-5+
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75647
PNG
(4-isopropoxy-N-(1H-1,2,4-triazol-5-yl)benzamide | ...)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1nnc[nH]1
Show InChI InChI=1S/C12H14N4O2/c1-8(2)18-10-5-3-9(4-6-10)11(17)15-12-13-7-14-16-12/h3-8H,1-2H3,(H2,13,14,15,16,17)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM51928
PNG
(MLS001090557 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
Show InChI InChI=1S/C25H29ClN4O/c1-18(2)30-17-19(15-27-30)16-29-11-9-20(10-12-29)25(31)28-24-8-4-6-22(14-24)21-5-3-7-23(26)13-21/h3-8,13-15,17-18,20H,9-12,16H2,1-2H3,(H,28,31)
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n/an/an/an/a 8.80E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75671
PNG
(MLS001121909 | N-[2-[1-(4-methoxy-3-methyl-benzyl)...)
Show SMILES COc1ccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cc1C
Show InChI InChI=1S/C27H34N4O2/c1-21-19-23(11-12-25(21)33-2)20-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-13,16,19,24H,6,9-10,14-15,17-18,20H2,1-2H3,(H,29,32)
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n/an/an/an/a 7.50E+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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75635
PNG
(2-[[2-(2-fluoroanilino)-2-keto-ethyl]-methyl-amino...)
Show SMILES CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C17H15F4N3O2/c1-24(8-14(25)22-12-5-3-2-4-10(12)18)9-15(26)23-13-7-6-11(19)16(20)17(13)21/h2-7H,8-9H2,1H3,(H,22,25)(H,23,26)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
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)
PDB

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UniChem

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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...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75681
PNG
(1-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonyl...)
Show SMILES Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl
Show InChI InChI=1S/C14H16ClN5OS/c1-9-11(15)12(20(2)19-9)13(21)17-18-14(22)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,22)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75701
PNG
(3-[[(2-hydroxybenzoyl)amino]carbamoyl]-N-(3-methyl...)
Show SMILES Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2ccccc2O)c1
Show InChI InChI=1S/C21H19N3O5S/c1-14-6-4-8-16(12-14)24-30(28,29)17-9-5-7-15(13-17)20(26)22-23-21(27)18-10-2-3-11-19(18)25/h2-13,24-25H,1H3,(H,22,26)(H,23,27)
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM69266
PNG
(MLS000419199 | N-[(4-ethylphenyl)methylideneamino]...)
Show SMILES CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1
Show InChI InChI=1S/C14H14N6/c1-2-10-3-5-11(6-4-10)7-19-20-14-12-13(16-8-15-12)17-9-18-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18)/b20-19+
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n/an/an/an/a>1.00E+5n/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/Q21Z42V4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%