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PubChem AID 463088

Compile data set for download or QSAR
Found 126 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
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM71633
PNG
((3-Amino-8-methyl-thieno[2,3-b]quinolin-2-yl)-morp...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H17N3O2S/c1-10-3-2-4-11-9-12-13(18)15(23-16(12)19-14(10)11)17(21)20-5-7-22-8-6-20/h2-4,9H,5-8,18H2,1H3
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n/an/an/an/a>3.40E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75446
PNG
(2-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-y...)
Show SMILES COCC(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13)
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n/an/an/an/a 6.26E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM39542
PNG
(MLS000041972 | N-[5-(2-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccccc1-c1nnc(NC(C)=O)s1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15)
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n/an/an/an/a 1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM48124
PNG
((4,8-dimethylquinazolin-2-yl)-[3-(3-morpholinoprop...)
Show SMILES Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12
Show InChI InChI=1S/C20H29N7O/c1-15-5-3-6-17-16(2)23-20(24-18(15)17)25-19-21-13-27(14-22-19)8-4-7-26-9-11-28-12-10-26/h3,5-6H,4,7-14H2,1-2H3,(H2,21,22,23,24,25)
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n/an/an/an/a 1.21E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM59652
PNG
(5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-...)
Show SMILES Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N4O/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8-5-16-18-9(8)15/h1-5H,(H,17,19)(H3,15,16,18)
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n/an/an/an/a 1.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM59156
PNG
(6072484 | cid_726942)
Show SMILES CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O
Show InChI InChI=1S/C16H16N4O2/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)20-15(18-13)9-14(19-20)16(17)21/h4-9H,3H2,1-2H3,(H2,17,21)
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n/an/an/an/a 2.63E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75473
PNG
(MLS000536788 | N-[(1-acetyl-3-indolyl)methylidenea...)
Show SMILES CC(=O)n1cc(C=NNC(=O)c2sc(C)nc2C)c2ccccc12
Show InChI InChI=1S/C17H16N4O2S/c1-10-16(24-11(2)19-10)17(23)20-18-8-13-9-21(12(3)22)15-7-5-4-6-14(13)15/h4-9H,1-3H3,(H,20,23)
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n/an/an/an/a>9.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75474
PNG
(MLS000536798 | N'-[(Z)-3-indolylidenemethyl]-2,4-d...)
Show SMILES Cc1nc(C)c(s1)C(=O)NN=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C15H14N4OS/c1-9-14(21-10(2)18-9)15(20)19-17-8-11-7-16-13-6-4-3-5-12(11)13/h3-8,16H,1-2H3,(H,19,20)/b17-8+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75476
PNG
((2-amino-5-bromo-6-methyl-pyrimidin-4-yl)-(4-chlor...)
Show SMILES Cc1nc(N)nc(Nc2ccc(Cl)cc2)c1Br
Show InChI InChI=1S/C11H10BrClN4/c1-6-9(12)10(17-11(14)15-6)16-8-4-2-7(13)3-5-8/h2-5H,1H3,(H3,14,15,16,17)
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n/an/an/an/a 351n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75478
PNG
(3-methoxybenzoic acid [(Z)-[amino-(4-nitrophenyl)m...)
Show SMILES COc1cccc(c1)C(=O)O[N-]C(=[NH2+])c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N3O5/c1-22-13-4-2-3-11(9-13)15(19)23-17-14(16)10-5-7-12(8-6-10)18(20)21/h2-9H,1H3,(H-,16,17)/q-1/p+1
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n/an/an/an/a 3.57E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75491
PNG
(4-chloranyl-2-methyl-N-naphthalen-1-yl-5-propyl-py...)
Show SMILES CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-3-7-15-16(19)17(22(2)21-15)18(23)20-14-11-6-9-12-8-4-5-10-13(12)14/h4-6,8-11H,3,7H2,1-2H3,(H,20,23)
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n/an/an/an/a 5.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75500
PNG
(MLS000856806 | N-(2-methoxyphenyl)-1-methyl-5-benz...)
Show SMILES COc1ccccc1NC(=O)c1ccc2n(C)nnc2c1
Show InChI InChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20)
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n/an/an/an/a 195n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75501
PNG
(3-chloranyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C20H20ClN3OS/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)22-20(25)19-18(21)16-4-2-3-5-17(16)26-19/h2-9H,10-13H2,1H3,(H,22,25)
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n/an/an/an/a>377n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75504
PNG
(7-(4-chlorophenyl)-2,4-dimethyl-8-pyrrolo[1,2-a]py...)
Show SMILES Cc1cc(C)n2cc(c(C(O)=O)c2n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O2/c1-9-7-10(2)19-8-13(11-3-5-12(17)6-4-11)14(16(20)21)15(19)18-9/h3-8H,1-2H3,(H,20,21)
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n/an/an/an/a 994n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75508
PNG
(2-chloranyl-N-(4-ethanoylphenyl)quinoline-4-carbox...)
Show SMILES CC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1
Show InChI InChI=1S/C18H13ClN2O2/c1-11(22)12-6-8-13(9-7-12)20-18(23)15-10-17(19)21-16-5-3-2-4-14(15)16/h2-10H,1H3,(H,20,23)
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n/an/an/an/a 1.66E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75510
PNG
(4-Amino-3-methyl-2-thioxo-2,3-dihydro-thiazole-5-c...)
Show SMILES Cn1c(N)c(sc1=S)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C11H10FN3OS2/c1-15-9(13)8(18-11(15)17)10(16)14-7-5-3-2-4-6(7)12/h2-5H,13H2,1H3,(H,14,16)
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n/an/an/an/a 857n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM69532
PNG
(2-[4-Amino-6-(2-methoxy-phenylamino)-5-nitro-pyrim...)
Show SMILES COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O
Show InChI InChI=1S/C13H16N6O4/c1-23-9-5-3-2-4-8(9)16-12-10(19(21)22)11(14)17-13(18-12)15-6-7-20/h2-5,20H,6-7H2,1H3,(H4,14,15,16,17,18)
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n/an/an/an/a 1.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75511
PNG
(2-chloranyl-4-methyl-N-[4-(trifluoromethyl)phenyl]...)
Show SMILES Cc1nc(Cl)sc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H8ClF3N2OS/c1-6-9(20-11(13)17-6)10(19)18-8-4-2-7(3-5-8)12(14,15)16/h2-5H,1H3,(H,18,19)
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n/an/an/an/a 1.58E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75512
PNG
(1-(4-bromophenyl)-2-(2,3-dimethyl-1-pyridin-1-iumy...)
Show SMILES Cc1ccc[n+](CC(=O)c2ccc(Br)cc2)c1C
Show InChI InChI=1S/C15H15BrNO/c1-11-4-3-9-17(12(11)2)10-15(18)13-5-7-14(16)8-6-13/h3-9H,10H2,1-2H3/q+1
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n/an/an/an/a 6.77E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75521
PNG
((5-Chloro-pyridin-2-yl)-(3,5-dinitro-pyridin-2-yl)...)
Show SMILES [O-][N+](=O)c1cnc(Nc2ccc(Cl)cn2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H6ClN5O4/c11-6-1-2-9(12-4-6)14-10-8(16(19)20)3-7(5-13-10)15(17)18/h1-5H,(H,12,13,14)
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n/an/an/an/a 1.29E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75522
PNG
(2-(5-Methyl-[1,3,4]thiadiazol-2-yl)-6-nitro-benzo[...)
Show SMILES Cc1nnc(s1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C15H8N4O4S/c1-7-16-17-15(24-7)18-13(20)9-4-2-3-8-11(19(22)23)6-5-10(12(8)9)14(18)21/h2-6H,1H3
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n/an/an/an/a 733n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75458
PNG
((4-bromophenyl)-(2,5-dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1nc2nc(C)cc(Nc3ccc(Br)cc3)n2n1
Show InChI InChI=1S/C13H12BrN5/c1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19/h3-7,17H,1-2H3
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n/an/an/an/a 117n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75460
PNG
(MLS000102809 | N-(1,3-benzodioxol-5-yl)-3-(3,4-dim...)
Show SMILES Cc1ccc(cc1C)-n1c(=O)[nH]cc(C(=O)Nc2ccc3OCOc3c2)c1=O
Show InChI InChI=1S/C20H17N3O5/c1-11-3-5-14(7-12(11)2)23-19(25)15(9-21-20(23)26)18(24)22-13-4-6-16-17(8-13)28-10-27-16/h3-9H,10H2,1-2H3,(H,21,26)(H,22,24)
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n/an/an/an/a 7.75E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75462
PNG
(2-(4,6-Dimethyl-pyrimidin-2-ylamino)-3-phenyl-3H-i...)
Show SMILES Cc1cc(C)nc(Nc2ncc(O)n2-c2ccccc2)n1
Show InChI InChI=1S/C15H15N5O/c1-10-8-11(2)18-14(17-10)19-15-16-9-13(21)20(15)12-6-4-3-5-7-12/h3-9,21H,1-2H3,(H,16,17,18,19)
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n/an/an/an/a 9.36E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM55378
PNG
(Furan-2-carboxylic acid [2,5-dimethoxy-4-(4-methox...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC
Show InChI InChI=1S/C21H20N2O6/c1-26-14-8-6-13(7-9-14)20(24)22-15-11-19(28-3)16(12-18(15)27-2)23-21(25)17-5-4-10-29-17/h4-12H,1-3H3,(H,22,24)(H,23,25)
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n/an/an/an/a 1.76E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75464
PNG
(MLS000549443 | N-[1,3-diketo-2-(p-tolyl)isoindolin...)
Show SMILES CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1ccc(C)cc1
Show InChI InChI=1S/C17H14N2O3/c1-10-6-8-12(9-7-10)19-16(21)13-4-3-5-14(18-11(2)20)15(13)17(19)22/h3-9H,1-2H3,(H,18,20)
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n/an/an/an/a 1.09E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75466
PNG
(3-acetyl-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole...)
Show SMILES CC(=O)c1noc(C)c1C(=O)Nc1nccs1
Show InChI InChI=1S/C10H9N3O3S/c1-5(14)8-7(6(2)16-13-8)9(15)12-10-11-3-4-17-10/h3-4H,1-2H3,(H,11,12,15)
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n/an/an/an/a 6.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75468
PNG
(5-chloranyl-N-[4-[ethanoyl(methyl)amino]phenyl]-2-...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)N(C)C(C)=O
Show InChI InChI=1S/C17H17ClN2O3/c1-11(21)20(2)14-7-5-13(6-8-14)19-17(22)15-10-12(18)4-9-16(15)23-3/h4-10H,1-3H3,(H,19,22)
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n/an/an/an/a 2.81E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75477
PNG
(5-Amino-3-(1-cyano-2-phenyl-vinyl)-1-(2-hydroxy-et...)
Show SMILES Nc1c(C#N)c(nn1CCO)C(=C/c1ccccc1)\C#N
Show InChI InChI=1S/C15H13N5O/c16-9-12(8-11-4-2-1-3-5-11)14-13(10-17)15(18)20(19-14)6-7-21/h1-5,8,21H,6-7,18H2/b12-8-
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n/an/an/an/a 6.55E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75489
PNG
(3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]...)
Show SMILES COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1nnc(s1)C1CC1
Show InChI InChI=1S/C14H12N4O5S/c1-23-13(20)9-4-8(5-10(6-9)18(21)22)11(19)15-14-17-16-12(24-14)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,17,19)
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n/an/an/an/a 3.02E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM47615
PNG
(2-N,5-N-bis(furan-2-ylmethylideneamino)furan-2,5-d...)
Show SMILES O=C(NN=Cc1ccco1)c1ccc(o1)C(=O)NN=Cc1ccco1
Show InChI InChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22)
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n/an/an/an/a 5.21E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75530
PNG
(MLS001200027 | N-(4-chlorophenyl)-4-methyl-2-(meth...)
Show SMILES CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
Show InChI InChI=1S/C13H12ClN3OS/c1-8-11(7-15-13(16-8)19-2)12(18)17-10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,17,18)
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n/an/an/an/a 22.2n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75450
PNG
(MLS000041275 | N-(1,7-dimethyl-3-pyrazolo[3,4-b]qu...)
Show SMILES CC(C)CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
Show InChI InChI=1S/C17H20N4O/c1-10(2)7-15(22)19-16-13-9-12-6-5-11(3)8-14(12)18-17(13)21(4)20-16/h5-6,8-10H,7H2,1-4H3,(H,19,20,22)
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n/an/an/an/a 476n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75453
PNG
(2-(2-Imidazol-1-yl-acetylamino)-benzoic acid methy...)
Show SMILES COC(=O)c1ccccc1NC(=O)Cn1ccnc1
Show InChI InChI=1S/C13H13N3O3/c1-19-13(18)10-4-2-3-5-11(10)15-12(17)8-16-7-6-14-9-16/h2-7,9H,8H2,1H3,(H,15,17)
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n/an/an/an/a 2.18E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM49288
PNG
((5-chloro-2-pyridyl)-[4-(2-thienyl)thiazol-2-yl]am...)
Show SMILES Clc1ccc(Nc2nc(cs2)-c2cccs2)nc1
Show InChI InChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16)
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n/an/an/an/a 1.58E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75459
PNG
(MLS000114650 | N-(2-butyl-5-keto-chromeno[3,4-c]py...)
Show SMILES CCCCc1cc2c3ccccc3oc(=O)c2c(NC(C)=O)n1
Show InChI InChI=1S/C18H18N2O3/c1-3-4-7-12-10-14-13-8-5-6-9-15(13)23-18(22)16(14)17(20-12)19-11(2)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,20,21)
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n/an/an/an/a 3.25E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75461
PNG
(MLS000104921 | N-(1,3-benzodioxol-5-yl)-4-pyridine...)
Show SMILES O=C(Nc1ccc2OCOc2c1)c1ccncc1
Show InChI InChI=1S/C13H10N2O3/c16-13(9-3-5-14-6-4-9)15-10-1-2-11-12(7-10)18-8-17-11/h1-7H,8H2,(H,15,16)
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n/an/an/an/a 2.53E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50264073
PNG
(CHEMBL490592 | N-Phenyl-4-(2-pyridinyl)-1,3-thiazo...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)16-14-17-13(10-18-14)12-8-4-5-9-15-12/h1-10H,(H,16,17)
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n/an/an/an/a>1.02E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75494
PNG
(MLS000700056 | N-(2,4-dimethoxyphenyl)-4-methyl-be...)
Show SMILES COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1
Show InChI InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(18)17-14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3,(H,17,18)
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n/an/an/an/a 3.78E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM46793
PNG
(CHEMBL1617574 | MLS000419194 | N-[3-(1,3-benzothia...)
Show SMILES CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
Show InChI InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)
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n/an/an/an/a>1.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM51199
PNG
(2-(6-nitro-2-phenyl-benzimidazol-1-yl)oxyacetic ac...)
Show SMILES OC(=O)COn1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C15H11N3O5/c19-14(20)9-23-17-13-8-11(18(21)22)6-7-12(13)16-15(17)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
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n/an/an/an/a 4.82E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM29698
PNG
(3, 6-Diacetamidoacridine | MLS000736567 | N-(6-ace...)
Show SMILES CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1
Show InChI InChI=1S/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22)
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n/an/an/an/a>3.39E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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n/an/an/an/a 3.34E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75518
PNG
((4E)-4-[[(8-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3...)
Show SMILES CCc1ccc2[nH]c3nc(N=NCc4ccc(O)cc4O)nnc3c2c1
Show InChI InChI=1S/C18H16N6O2/c1-2-10-3-6-14-13(7-10)16-17(20-14)21-18(24-22-16)23-19-9-11-4-5-12(25)8-15(11)26/h3-8,25-26H,2,9H2,1H3,(H,20,21,24)/b23-19+
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n/an/an/an/a>9.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75525
PNG
(2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1...)
Show SMILES CN(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C17H18N2O2/c1-18(2)10-5-11-19-16(20)13-8-3-6-12-7-4-9-14(15(12)13)17(19)21/h3-4,6-9H,5,10-11H2,1-2H3
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n/an/an/an/a 815n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75527
PNG
(4-[2-[2-(4-methoxyphenyl)-5-(4-morpholinyl)-3-benz...)
Show SMILES COc1ccc(cc1)-c1oc2ccc(cc2c1C#Cc1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C27H24N2O3/c1-30-23-10-5-20(6-11-23)27-24(12-4-19-2-7-21(28)8-3-19)25-18-22(9-13-26(25)32-27)29-14-16-31-17-15-29/h2-3,5-11,13,18H,14-17,28H2,1H3
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n/an/an/an/a 5.72E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM17152
PNG
(4-(5-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]me...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-
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n/an/an/an/a 237n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75445
PNG
(3-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine | 5-(...)
Show SMILES Cc1ccccc1-c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C14H11N3O/c1-10-5-2-3-7-12(10)14-16-13(17-18-14)11-6-4-8-15-9-11/h2-9H,1H3
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n/an/an/an/a 1.74E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75448
PNG
(3-oxidanidyl-8-phenyl-4,5-dihydro-[1,2,5]oxadiazol...)
Show SMILES [O-]n1[o+]nc-2c1CCc1nnc(cc-21)-c1ccccc1
Show InChI InChI=1S/C14H10N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2
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n/an/an/an/a 2.83E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75471
PNG
(3-oxidanidyl-8-phenyl-[1,2,5]oxadiazolo[3,4-f]cinn...)
Show SMILES [O-]n1[o+]nc2c1ccc1nnc(cc21)-c1ccccc1
Show InChI InChI=1S/C14H8N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-8H
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n/an/an/an/a 1.48E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75472
PNG
(3-amino-2-benzofurancarboxylic acid ethyl ester | ...)
Show SMILES CCOC(=O)c1oc2ccccc2c1N
Show InChI InChI=1S/C11H11NO3/c1-2-14-11(13)10-9(12)7-5-3-4-6-8(7)15-10/h3-6H,2,12H2,1H3
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n/an/an/an/a 7.43E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM49478
PNG
((6Z)-3-methyl-6-(5-thiophen-2-yl-1,2-dihydropyrazo...)
Show SMILES Cc1ccc(-c2cc([nH]n2)-c2cccs2)c(O)c1
Show InChI InChI=1S/C14H12N2OS/c1-9-4-5-10(13(17)7-9)11-8-12(16-15-11)14-3-2-6-18-14/h2-8,17H,1H3,(H,15,16)
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n/an/an/an/a 1.21E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75479
PNG
(2-[(4-chlorobenzoyl)amino]phenyl 4-chlorobenzoate ...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccccc1OC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13Cl2NO3/c21-15-9-5-13(6-10-15)19(24)23-17-3-1-2-4-18(17)26-20(25)14-7-11-16(22)12-8-14/h1-12H,(H,23,24)
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n/an/an/an/a 4.89E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75484
PNG
(Benzofuran-2-carboxylic acid [1-(1-prop-2-ynyl-1H-...)
Show SMILES O=C(NN=Cc1cn(CC#C)c2ccccc12)c1cc2ccccc2o1
Show InChI InChI=1S/C21H15N3O2/c1-2-11-24-14-16(17-8-4-5-9-18(17)24)13-22-23-21(25)20-12-15-7-3-6-10-19(15)26-20/h1,3-10,12-14H,11H2,(H,23,25)
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n/an/an/an/a 544n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75486
PNG
(6-[[(4-chlorobenzylidene)amino]-ethyl-amino]-3-met...)
Show SMILES CCN(N=Cc1ccc(Cl)cc1)c1cc(=O)n(C)c(=O)[nH]1
Show InChI InChI=1S/C14H15ClN4O2/c1-3-19(12-8-13(20)18(2)14(21)17-12)16-9-10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,17,21)/b16-9+
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n/an/an/an/a 1.12E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM57731
PNG
(MLS000662692 | N-(2,4-dimethylphenyl)-1H-benzimida...)
Show SMILES Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)c(C)c1
Show InChI InChI=1S/C16H15N3S/c1-10-7-8-12(11(2)9-10)19-16(20)15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,17,18)(H,19,20)
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n/an/an/an/a 3.65E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75498
PNG
(2-(4,6-dimethyl-2-pyrimidinyl)-1-(2-methoxy-5-meth...)
Show SMILES COc1ccc(C)cc1N=C(N)Nc1nc(C)cc(C)n1
Show InChI InChI=1S/C15H19N5O/c1-9-5-6-13(21-4)12(7-9)19-14(16)20-15-17-10(2)8-11(3)18-15/h5-8H,1-4H3,(H3,16,17,18,19,20)
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n/an/an/an/a 3.95E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75505
PNG
(MLS000696055 | N-[1-amino-2-keto-6-methyl-5-(1H-py...)
Show SMILES Cc1c(cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N)-c1cc[nH]n1
Show InChI InChI=1S/C16H14ClN5O2/c1-9-12(13-6-7-19-21-13)8-14(16(24)22(9)18)20-15(23)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3,(H,19,21)(H,20,23)
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n/an/an/an/a 1.17E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM43187
PNG
(1-[(4-ethoxybenzylidene)amino]-4-phenyl-4-imidazol...)
Show SMILES CCOc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1
Show InChI InChI=1S/C18H17N3OS/c1-2-22-16-10-8-14(9-11-16)12-19-21-13-17(20-18(21)23)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,23)
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n/an/an/an/a 4.76E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75516
PNG
(1-(5-chloranyl-1-methyl-indol-2-yl)carbonylpiperid...)
Show SMILES Cn1c(cc2cc(Cl)ccc12)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C16H18ClN3O2/c1-19-13-3-2-12(17)8-11(13)9-14(19)16(22)20-6-4-10(5-7-20)15(18)21/h2-3,8-10H,4-7H2,1H3,(H2,18,21)
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n/an/an/an/a 910n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75517
PNG
(6-Chloro-N-(4-chloro-phenyl)-N'-propyl-[1,3,5]...)
Show SMILES CCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C12H13Cl2N5/c1-2-7-15-11-17-10(14)18-12(19-11)16-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H2,15,16,17,18,19)
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n/an/an/an/a 3.38E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75528
PNG
(MLS001163863 | N-(3-chlorophenyl)-6-keto-1H-pyrida...)
Show SMILES Clc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
Show InChI InChI=1S/C11H8ClN3O2/c12-7-2-1-3-8(6-7)13-11(17)9-4-5-10(16)15-14-9/h1-6H,(H,13,17)(H,15,16)
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n/an/an/an/a 3.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75533
PNG
(MLS001125581 | N-[(7-methoxy-1,3-benzodioxol-5-yl)...)
Show SMILES COc1cc(C=NNC(=O)c2cccnc2)cc2OCOc12
Show InChI InChI=1S/C15H13N3O4/c1-20-12-5-10(6-13-14(12)22-9-21-13)7-17-18-15(19)11-3-2-4-16-8-11/h2-8H,9H2,1H3,(H,18,19)
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n/an/an/an/a 6.16E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75535
PNG
(4-chloranyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)...)
Show SMILES Cc1cnc(NC(=O)c2c(Cl)cnn2C)s1
Show InChI InChI=1S/C9H9ClN4OS/c1-5-3-11-9(16-5)13-8(15)7-6(10)4-12-14(7)2/h3-4H,1-2H3,(H,11,13,15)
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n/an/an/an/a 5.87E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75447
PNG
(MLS000031358 | N-(2-ethoxyphenyl)-6-quinoxalinecar...)
Show SMILES CCOc1ccccc1NC(=O)c1ccc2nccnc2c1
Show InChI InChI=1S/C17H15N3O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)12-7-8-13-15(11-12)19-10-9-18-13/h3-11H,2H2,1H3,(H,20,21)
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n/an/an/an/a 2.21E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75449
PNG
(MLS000041272 | N-(1,7-dimethyl-3-pyrazolo[3,4-b]qu...)
Show SMILES CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
Show InChI InChI=1S/C16H18N4O/c1-4-5-14(21)18-15-12-9-11-7-6-10(2)8-13(11)17-16(12)20(3)19-15/h6-9H,4-5H2,1-3H3,(H,18,19,21)
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n/an/an/an/a 458n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75452
PNG
(MLS000092095 | N-(1,2-oxazol-3-yl)-5-oxidanylidene...)
Show SMILES O=C(Nc1ccon1)c1cnc2sccn2c1=O
Show InChI InChI=1S/C10H6N4O3S/c15-8(12-7-1-3-17-13-7)6-5-11-10-14(9(6)16)2-4-18-10/h1-5H,(H,12,13,15)
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n/an/an/an/a 1.85E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75467
PNG
(1-[4-(2-methyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES Cc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H14N4/c1-13-19-11-10-16(21-13)14-6-8-15(9-7-14)22-12-20-17-4-2-3-5-18(17)22/h2-12H,1H3
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n/an/an/an/a>1.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75481
PNG
(1H-benzimidazol-2-yl-(veratrylideneamino)amine | M...)
Show SMILES COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1OC
Show InChI InChI=1S/C16H16N4O2/c1-21-14-8-7-11(9-15(14)22-2)10-17-20-16-18-12-5-3-4-6-13(12)19-16/h3-9H,10H2,1-2H3,(H,18,19)/b20-17+
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n/an/an/an/a 3.46E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75495
PNG
(2-(4-methylanilino)-3-pyridinecarboxamide | 2-(4-m...)
Show SMILES Cc1ccc(Nc2ncccc2C(N)=O)cc1
Show InChI InChI=1S/C13H13N3O/c1-9-4-6-10(7-5-9)16-13-11(12(14)17)3-2-8-15-13/h2-8H,1H3,(H2,14,17)(H,15,16)
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n/an/an/an/a 1.36E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50447
PNG
(2-(4-bromoanilino)-6-nitro-1,3-benzothiazin-4-one ...)
Show SMILES [O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1
Show InChI InChI=1S/C14H8BrN3O3S/c15-8-1-3-9(4-2-8)16-14-17-13(19)11-7-10(18(20)21)5-6-12(11)22-14/h1-7H,(H,16,17,19)
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n/an/an/an/a 5.11E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM57828
PNG
(1-(3,5-dichlorophenyl)-3-(3-pyridinyl)urea | 1-(3,...)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1
Show InChI InChI=1S/C12H9Cl2N3O/c13-8-4-9(14)6-11(5-8)17-12(18)16-10-2-1-3-15-7-10/h1-7H,(H2,16,17,18)
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n/an/an/an/a>1.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75499
PNG
(1-(2-methoxyphenyl)-3-(3-pyridinyl)urea | 1-(2-met...)
Show SMILES COc1ccccc1NC(=O)Nc1cccnc1
Show InChI InChI=1S/C13H13N3O2/c1-18-12-7-3-2-6-11(12)16-13(17)15-10-5-4-8-14-9-10/h2-9H,1H3,(H2,15,16,17)
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n/an/an/an/a 2.25E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75506
PNG
(MLS000419518 | N-(4-methyl-1,3-thiazol-2-yl)-2-[(3...)
Show SMILES Cc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1
Show InChI InChI=1S/C16H13N7OS2/c1-10-8-26-16(18-10)19-13(24)9-25-14-3-2-12-20-21-15(23(12)22-14)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,24)
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n/an/an/an/a 1.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM71150
PNG
(2-Chloro-3-(4-hydroxy-phenylamino)-[1,4]naphthoqui...)
Show SMILES Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H10ClNO3/c17-13-14(18-9-5-7-10(19)8-6-9)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18-19H
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n/an/an/an/a>1.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75513
PNG
(3-methoxy-N-(4-methylphenyl)-2-naphthalenecarboxam...)
Show SMILES COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C19H17NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-12H,1-2H3,(H,20,21)
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n/an/an/an/a 394n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75514
PNG
(2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxa...)
Show SMILES COc1ccccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C21H19N3O4/c1-27-18-9-5-3-7-15(18)23-20(25)14-11-12-17(22-13-14)21(26)24-16-8-4-6-10-19(16)28-2/h3-13H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/a 68.6n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75531
PNG
(MLS001167634 | N-(4,7-dimethyl-1,3-benzothiazol-2-...)
Show SMILES Cc1ccc(C)c2sc(NC(=O)C3CC3)nc12
Show InChI InChI=1S/C13H14N2OS/c1-7-3-4-8(2)11-10(7)14-13(17-11)15-12(16)9-5-6-9/h3-4,9H,5-6H2,1-2H3,(H,14,15,16)
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n/an/an/an/a 4.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75536
PNG
(MLS002249107 | N'-[3-chloranyl-5-(trifluoromethyl)...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)NNc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C12H7ClF5N3O2S/c13-8-3-6(12(16,17)18)5-19-11(8)20-21-24(22,23)10-2-1-7(14)4-9(10)15/h1-5,21H,(H,19,20)
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n/an/an/an/a 3.38E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75455
PNG
(MLS000064056 | N-(2,5-dimethoxy-4-propionamido-phe...)
Show SMILES CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C18H20N2O4/c1-4-17(21)19-13-10-16(24-3)14(11-15(13)23-2)20-18(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
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n/an/an/an/a 1.85E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM37443
PNG
(6-(1,3-benzothiazol-2-yl)-2-N,2-N-dimethyl-1,3,5-t...)
Show SMILES CN(C)c1nc(N)nc(n1)-c1nc2ccccc2s1
Show InChI InChI=1S/C12H12N6S/c1-18(2)12-16-9(15-11(13)17-12)10-14-7-5-3-4-6-8(7)19-10/h3-6H,1-2H3,(H2,13,15,16,17)
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n/an/an/an/a 845n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75457
PNG
(2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-methyl-1H-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(C)c2ccc(O)cc2n1
Show InChI InChI=1S/C21H23N3O2/c1-15-13-21(22-20-14-17(25)5-8-19(15)20)24-11-9-23(10-12-24)16-3-6-18(26-2)7-4-16/h3-8,13-14,25H,9-12H2,1-2H3
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n/an/an/an/a 3.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM43585
PNG
(3-(4-chlorophenyl)-1-methyl-N-[3-(4-methyl-1-piper...)
Show SMILES CN1CCN(CCCNC(=O)c2cc3c(nn(C)c3s2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H26ClN5OS/c1-25-10-12-27(13-11-25)9-3-8-23-20(28)18-14-17-19(24-26(2)21(17)29-18)15-4-6-16(22)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,23,28)
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n/an/an/an/a 483n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM42855
PNG
(3-[(4-fluorobenzoyl)amino]-1-benzofuran-2-carboxam...)
Show SMILES NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H11FN2O3/c17-10-7-5-9(6-8-10)16(21)19-13-11-3-1-2-4-12(11)22-14(13)15(18)20/h1-8H,(H2,18,20)(H,19,21)
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n/an/an/an/a 4.12E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM67931
PNG
(2-[3-(4-ketocyclohexa-2,5-dien-1-ylidene)-4H-benzo...)
Show SMILES CCOC(=O)Cc1cc(nc2ccc3ccccc3c12)-c1ccc(O)cc1
Show InChI InChI=1S/C23H19NO3/c1-2-27-22(26)14-17-13-21(16-7-10-18(25)11-8-16)24-20-12-9-15-5-3-4-6-19(15)23(17)20/h3-13,25H,2,14H2,1H3
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n/an/an/an/a 1.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM48711
PNG
(MLS000573118 | N'-(1H-indol-3-ylmethylene)-2,3...)
Show SMILES O=C(NN=Cc1c[nH]c2ccccc12)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-7-3-4-8-16(15)24-17)21-20-10-12-9-19-14-6-2-1-5-13(12)14/h1-10,17,19H,11H2,(H,21,22)
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n/an/an/an/a 5.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM32292
PNG
(5-Bromo-nicotinic acid [1-[5-(2-nitro-phenyl)-fura...)
Show SMILES [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cncc(Br)c2)o1
Show InChI InChI=1S/C17H11BrN4O4/c18-12-7-11(8-19-9-12)17(23)21-20-10-13-5-6-16(26-13)14-3-1-2-4-15(14)22(24)25/h1-10H,(H,21,23)
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n/an/an/an/a 6.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75482
PNG
((1Z)-1-(5-chlorothien-2-yl)ethanone (4-fluoropheny...)
Show SMILES CC(N=Nc1ccc(F)cc1)c1ccc(Cl)s1
Show InChI InChI=1S/C12H10ClFN2S/c1-8(11-6-7-12(13)17-11)15-16-10-4-2-9(14)3-5-10/h2-8H,1H3
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n/an/an/an/a 4.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75485
PNG
(9-Hydrazino-5,8-dihydro-6H-11-thia-8,10-diaza-benz...)
Show SMILES NNc1nc2sc-3c(CCc4ccccc-34)c2c(=O)[nH]1
Show InChI InChI=1S/C14H12N4OS/c15-18-14-16-12(19)10-9-6-5-7-3-1-2-4-8(7)11(9)20-13(10)17-14/h1-4H,5-6,15H2,(H2,16,17,18,19)
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n/an/an/an/a 373n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75487
PNG
(4-[5-(3,5-Dinitro-phenyl)-[1,2,4]oxadiazol-3-yl]-p...)
Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C13H7N5O5/c19-17(20)10-5-9(6-11(7-10)18(21)22)13-15-12(16-23-13)8-1-3-14-4-2-8/h1-7H
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n/an/an/an/a 2.67E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75490
PNG
((3-amino-1-benzofuran-2-yl)(4-bromophenyl)methanon...)
Show SMILES Nc1c(oc2ccccc12)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H10BrNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2
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n/an/an/an/a 3.30E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75502
PNG
(6-[(E)-({3-[(4-fluorobenzoyl)amino]benzoyl}hydrazo...)
Show SMILES COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(O)=O)c1OC
Show InChI InChI=1S/C24H20FN3O6/c1-33-19-11-8-16(20(24(31)32)21(19)34-2)13-26-28-23(30)15-4-3-5-18(12-15)27-22(29)14-6-9-17(25)10-7-14/h3-13H,1-2H3,(H,27,29)(H,28,30)(H,31,32)
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n/an/an/an/a 5.48E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75503
PNG
(2-ethoxy-N-(2-methyl-3-thiazolo[5,4-b]pyridin-2-yl...)
Show SMILES CCOCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C
Show InChI InChI=1S/C17H17N3O2S/c1-3-22-10-15(21)19-13-7-4-6-12(11(13)2)16-20-14-8-5-9-18-17(14)23-16/h4-9H,3,10H2,1-2H3,(H,19,21)
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n/an/an/an/a 4.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75509
PNG
(1-[(5-methyl-2-thienyl)methyleneamino]-4-phenyl-4-...)
Show SMILES Cc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)s1
Show InChI InChI=1S/C15H13N3S2/c1-11-7-8-13(20-11)9-16-18-10-14(17-15(18)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)/b16-9+
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n/an/an/an/a 1.44E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75523
PNG
(3-Methoxy-naphthalene-2-carboxylic acid (4-ethoxy-...)
Show SMILES CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
Show InChI InChI=1S/C20H19NO3/c1-3-24-17-10-8-16(9-11-17)21-20(22)18-12-14-6-4-5-7-15(14)13-19(18)23-2/h4-13H,3H2,1-2H3,(H,21,22)
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n/an/an/an/a 2.17E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75532
PNG
(MLS000950076 | N-[3-[[[(E)-(3-methoxy-4-oxidanylid...)
Show SMILES COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O
Show InChI InChI=1S/C22H19N3O4/c1-29-20-12-15(10-11-19(20)26)14-23-25-22(28)17-8-5-9-18(13-17)24-21(27)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,27)(H,25,28)
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n/an/an/an/a 5.62E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75534
PNG
(MLS001060579 | N-[(3-chloranyl-4-fluoranyl-phenyl)...)
Show SMILES Fc1ccc(NC(=S)NC(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C11H10ClFN2OS/c12-8-5-7(3-4-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
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n/an/an/an/a 861n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75451
PNG
(MLS000041173 | N-[5-(2-ethoxyethyl)-1,3,4-thiadiaz...)
Show SMILES CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
Show InChI InChI=1S/C15H19N3O4S/c1-4-22-8-7-13-17-18-15(23-13)16-14(19)10-5-6-11(20-2)12(9-10)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18,19)
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n/an/an/an/a 6.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM68469
PNG
(MLS000054003 | N-(5-chloranylpyridin-2-yl)-2-[(4-m...)
Show SMILES Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
Show InChI InChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16)
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n/an/an/an/a 1.54E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75454
PNG
(MLS000100066 | N-[3-(5-chloranyl-1,3-benzoxazol-2-...)
Show SMILES Clc1ccc2oc(nc2c1)-c1cccc(NC(=O)C2CCCO2)c1
Show InChI InChI=1S/C18H15ClN2O3/c19-12-6-7-15-14(10-12)21-18(24-15)11-3-1-4-13(9-11)20-17(22)16-5-2-8-23-16/h1,3-4,6-7,9-10,16H,2,5,8H2,(H,20,22)
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n/an/an/an/a 2.58E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75456
PNG
(2-(3-acetamidophenoxy)-N-(4-fluorophenyl)acetamide...)
Show SMILES CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C16H15FN2O3/c1-11(20)18-14-3-2-4-15(9-14)22-10-16(21)19-13-7-5-12(17)6-8-13/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
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n/an/an/an/a 1.06E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75465
PNG
(2-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-4-one...)
Show SMILES COc1cc2nc(cc(O)c2cc1OC)-c1cccc(F)c1
Show InChI InChI=1S/C17H14FNO3/c1-21-16-7-12-14(9-17(16)22-2)19-13(8-15(12)20)10-4-3-5-11(18)6-10/h3-9H,1-2H3,(H,19,20)
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n/an/an/an/a 5.44E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75469
PNG
(MLS000534075 | N-cyclopentyl-2-benzo[e]benzofuranc...)
Show SMILES O=C(NC1CCCC1)c1cc2c(ccc3ccccc23)o1
Show InChI InChI=1S/C18H17NO2/c20-18(19-13-6-2-3-7-13)17-11-15-14-8-4-1-5-12(14)9-10-16(15)21-17/h1,4-5,8-11,13H,2-3,6-7H2,(H,19,20)
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n/an/an/an/a 2.80E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75470
PNG
(2-methoxy-N-(4-piperidin-1-ylphenyl)benzamide | 2-...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C19H22N2O2/c1-23-18-8-4-3-7-17(18)19(22)20-15-9-11-16(12-10-15)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22)
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n/an/an/an/a 2.91E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75475
PNG
(1-(2-methoxy-3-dibenzofuranyl)-3-(4-methylphenyl)u...)
Show SMILES COc1cc2c(cc1NC(=O)Nc1ccc(C)cc1)oc1ccccc21
Show InChI InChI=1S/C21H18N2O3/c1-13-7-9-14(10-8-13)22-21(24)23-17-12-19-16(11-20(17)25-2)15-5-3-4-6-18(15)26-19/h3-12H,1-2H3,(H2,22,23,24)
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n/an/an/an/a 1.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75480
PNG
((4Z)-2-phenyl-4-[(1,3-thiazol-2-ylamino)methyliden...)
Show SMILES Oc1oc(nc1C=Nc1nccs1)-c1ccccc1
Show InChI InChI=1S/C13H9N3O2S/c17-12-10(8-15-13-14-6-7-19-13)16-11(18-12)9-4-2-1-3-5-9/h1-8,17H
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n/an/an/an/a 1.23E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75492
PNG
(7-hydroxy-8-[(Z)-1-oxo-3-thiophen-2-ylprop-2-enyl]...)
Show SMILES Oc1ccc2ccc(=O)oc2c1C(=O)\C=C/c1cccs1
Show InChI InChI=1S/C16H10O4S/c17-12-6-3-10-4-8-14(19)20-16(10)15(12)13(18)7-5-11-2-1-9-21-11/h1-9,17H/b7-5-
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n/an/an/an/a 3.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75493
PNG
(MLS000702861 | N'-(3-{3-nitrophenyl}-1-methyl-...)
Show SMILES CC(C=Cc1cccc(c1)[N+]([O-])=O)=NNC(=O)c1cccnc1
Show InChI InChI=1S/C16H14N4O3/c1-12(18-19-16(21)14-5-3-9-17-11-14)7-8-13-4-2-6-15(10-13)20(22)23/h2-11H,1H3,(H,19,21)
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n/an/an/an/a>9.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75496
PNG
(2-(4-morpholinyl)-N-(6-nitro-1,3-benzothiazol-2-yl...)
Show SMILES [O-][N+](=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
Show InChI InChI=1S/C13H14N4O4S/c18-12(8-16-3-5-21-6-4-16)15-13-14-10-2-1-9(17(19)20)7-11(10)22-13/h1-2,7H,3-6,8H2,(H,14,15,18)
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n/an/an/an/a 2.62E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75497
PNG
(MLS000684512 | N-(2-chloro-4-{[(propionylamino)car...)
Show SMILES CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
Show InChI InChI=1S/C15H14ClN3O3S/c1-2-13(20)19-15(23)17-9-5-6-11(10(16)8-9)18-14(21)12-4-3-7-22-12/h3-8H,2H2,1H3,(H,18,21)(H2,17,19,20,23)
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n/an/an/an/a 4.47E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75515
PNG
(MLS000971239 | N-[2-(2-methoxy-1-oxoethyl)-3,4-dih...)
Show SMILES COCC(=O)N1CCc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C20H19F3N2O3/c1-28-12-18(26)25-9-8-13-4-7-17(10-15(13)11-25)24-19(27)14-2-5-16(6-3-14)20(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,24,27)
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n/an/an/an/a>1.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75519
PNG
((3-aminophenyl)-quinazolin-4-yl-amine;hydrochlorid...)
Show SMILES Nc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H12N4/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,15H2,(H,16,17,18)
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n/an/an/an/a 3.58E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM51902
PNG
(MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-...)
Show SMILES COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1
Show InChI InChI=1S/C18H16FN3O/c1-12-9-18(16-10-15(23-2)7-8-17(16)21-12)22-20-11-13-3-5-14(19)6-4-13/h3-10H,11H2,1-2H3
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n/an/an/an/a>377n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75524
PNG
((2-methyl-4-quinolyl)-(p-anisylideneamino)amine | ...)
Show SMILES COc1ccc(CN=Nc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-11H,12H2,1-2H3
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n/an/an/an/a>1.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM38363
PNG
((6Z)-4-ethyl-3-hydroxy-6-[1-(hydroxyamino)-2-(2-qu...)
Show SMILES CCc1cc(C(Cc2ccc3ccccc3n2)N=O)c(O)cc1O
Show InChI InChI=1S/C19H18N2O3/c1-2-12-9-15(19(23)11-18(12)22)17(21-24)10-14-8-7-13-5-3-4-6-16(13)20-14/h3-9,11,17,22-23H,2,10H2,1H3
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n/an/an/an/a>3.40E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM37255
PNG
((6-bromoquinazolin-4-yl)-(4-morpholinophenyl)amine...)
Show SMILES Brc1ccc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2c1
Show InChI InChI=1S/C18H17BrN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
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n/an/an/an/a 1.14E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75463
PNG
(11-indeno[1,2-b]quinoxalinone | MLS000067615 | SMR...)
Show SMILES O=C1c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H8N2O/c18-15-10-6-2-1-5-9(10)13-14(15)17-12-8-4-3-7-11(12)16-13/h1-8H
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n/an/an/an/a 1.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75483
PNG
(2-[2-[(5-bromanylthiophen-2-yl)methylidene]hydrazi...)
Show SMILES Cc1cc(=O)[nH]c(N=NCc2ccc(Br)s2)n1
Show InChI InChI=1S/C10H9BrN4OS/c1-6-4-9(16)14-10(13-6)15-12-5-7-2-3-8(11)17-7/h2-4H,5H2,1H3,(H,13,14,16)/b15-12+
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n/an/an/an/a 8.50E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75488
PNG
((Quinolin-8-yloxy)-acetic acid [1-(1-prop-2-ynyl-1...)
Show SMILES O=C(COc1cccc2cccnc12)NN=Cc1cn(CC#C)c2ccccc12
Show InChI InChI=1S/C23H18N4O2/c1-2-13-27-15-18(19-9-3-4-10-20(19)27)14-25-26-22(28)16-29-21-11-5-7-17-8-6-12-24-23(17)21/h1,3-12,14-15H,13,16H2,(H,26,28)
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n/an/an/an/a>377n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM583
PNG
(4-amino-5-methoxy-9(10H)-acridinone | MLS000705222...)
Show SMILES COc1cccc2c1[nH]c1c(N)cccc1c2=O
Show InChI InChI=1S/C14H12N2O2/c1-18-11-7-3-5-9-13(11)16-12-8(14(9)17)4-2-6-10(12)15/h2-7H,15H2,1H3,(H,16,17)
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n/an/an/an/a>9.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM28908
PNG
(N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide | ...)
Show SMILES CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClN3O/c1-7(16)13-11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
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n/an/an/an/a 1.80E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75507
PNG
(MLS001011252 | N-[1-(4-imidazol-1-ylphenyl)ethylid...)
Show SMILES CC(=NNC(=O)c1cccnc1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C17H15N5O/c1-13(20-21-17(23)15-3-2-8-18-11-15)14-4-6-16(7-5-14)22-10-9-19-12-22/h2-12H,1H3,(H,21,23)
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n/an/an/an/a 5.46E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM51259
PNG
(1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[...)
Show SMILES Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C18H19N3O2/c19-13-10-12-4-3-5-14-16(12)15(11-13)18(23)21(17(14)22)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,19H2
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n/an/an/an/a 286n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75520
PNG
(6,9-Dimethyl-6H-indolo[2,3-b]quinoxaline | 6,9-dim...)
Show SMILES Cc1ccc2n(C)c3nc4ccccc4nc3c2c1
Show InChI InChI=1S/C16H13N3/c1-10-7-8-14-11(9-10)15-16(19(14)2)18-13-6-4-3-5-12(13)17-15/h3-9H,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75526
PNG
(5-Bromo-naphthalene-1-carboxylic acid (4-methoxy-p...)
Show SMILES COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1
Show InChI InChI=1S/C18H14BrNO2/c1-22-13-10-8-12(9-11-13)20-18(21)16-6-2-5-15-14(16)4-3-7-17(15)19/h2-11H,1H3,(H,20,21)
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n/an/an/an/a 965n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75529
PNG
(MLS001198267 | N-(3-chlorophenyl)-3-pyridazinecarb...)
Show SMILES Clc1cccc(NC(=O)c2cccnn2)c1
Show InChI InChI=1S/C11H8ClN3O/c12-8-3-1-4-9(7-8)14-11(16)10-5-2-6-13-15-10/h1-7H,(H,14,16)
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n/an/an/an/a 583n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%