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PubChem AID 1243

Compile data set for download or QSAR
Found 54 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
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42084
PNG
(2-[(Z)-1-nitro-2-[(phenylmethyl)amino]ethenyl]cycl...)
Show SMILES [O-][N+](=O)C(C=NCc1ccccc1)C1=CC(=O)C=CC1=O |w:5.5,c:18,t:14|
Show InChI InChI=1S/C15H12N2O4/c18-12-6-7-15(19)13(8-12)14(17(20)21)10-16-9-11-4-2-1-3-5-11/h1-8,10,14H,9H2
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n/an/an/an/a 5.70E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42120
PNG
(2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-eth...)
Show SMILES CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(O)c(O)c2)nc1C
Show InChI InChI=1S/C17H14N2O4S/c1-9-13(10(2)20)5-12(7-18)17(19-9)24-8-16(23)11-3-4-14(21)15(22)6-11/h3-6,21-22H,8H2,1-2H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42088
PNG
(4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopen...)
Show SMILES OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc(c1)[N+]([O-])=O |c:11|
Show InChI InChI=1S/C19H16N2O4/c22-19(23)12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)11-3-1-4-13(9-11)21(24)25/h1-5,7-10,14-15,18,20H,6H2,(H,22,23)
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n/an/an/an/a 1.75E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42091
PNG
((4-aminophenyl)-(4-methoxyphenyl)amine | 4-N-(4-me...)
Show SMILES COc1ccc(Nc2ccc(N)cc2)cc1
Show InChI InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3
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n/an/an/an/a 7.22E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42103
PNG
(6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quino...)
Show SMILES OC(=O)C1Nc2c(cccc2[N+]([O-])=O)C2C=CCC12 |c:16|
Show InChI InChI=1S/C13H12N2O4/c16-13(17)12-9-4-1-3-7(9)8-5-2-6-10(15(18)19)11(8)14-12/h1-3,5-7,9,12,14H,4H2,(H,16,17)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM31728
PNG
(6,8-bis(chloranyl)-3a,4,5,9b-tetrahydro-3H-cyclope...)
Show SMILES OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
Show InChI InChI=1S/C13H11Cl2NO2/c14-6-4-9-7-2-1-3-8(7)12(13(17)18)16-11(9)10(15)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)
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n/an/an/an/a 1.03E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42109
PNG
(BIM-0034959.P001 | cid_5343929)
Show SMILES OC(=O)C1C2CC=CC2c2cc(Oc3ccccc3)cc3C4C=CCC4CN1c23 |c:6,24|
Show InChI InChI=1S/C25H23NO3/c27-25(28)24-20-11-5-10-19(20)22-13-17(29-16-7-2-1-3-8-16)12-21-18-9-4-6-15(18)14-26(24)23(21)22/h1-5,7-10,12-13,15,18-20,24H,6,11,14H2,(H,27,28)
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n/an/an/an/a 4.13E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42119
PNG
(2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetic acid ...)
Show SMILES Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO3/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/an/an/a 8.75E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM41992
PNG
(8-acetamido-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]q...)
Show SMILES CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|
Show InChI InChI=1S/C15H16N2O3/c1-8(18)16-9-5-6-13-12(7-9)10-3-2-4-11(10)14(17-13)15(19)20/h2-3,5-7,10-11,14,17H,4H2,1H3,(H,16,18)(H,19,20)
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n/an/an/an/a 4.44E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42078
PNG
(BIM-0013441.P001 | cid_23702518 | potassium;2-(5-h...)
Show SMILES Oc1ccc2[nH]cc(CC([O-])=O)c2c1
Show InChI InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1
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n/an/an/an/a 7.88E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42095
PNG
(2-keto-3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-y...)
Show SMILES COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2OCOc2cc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C15H15N3O7/c1-7-12(14(19)23-3)13(16-15(20)17(7)2)8-4-10-11(25-6-24-10)5-9(8)18(21)22/h4-5,13H,6H2,1-3H3,(H,16,20)
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n/an/an/an/a 1.74E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42116
PNG
(2-chloranyl-4-(2,5-dimethylpyrrol-1-yl)benzoic aci...)
Show SMILES Cc1ccc(C)n1-c1ccc(C(O)=O)c(Cl)c1
Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-11(13(16)17)12(14)7-10/h3-7H,1-2H3,(H,16,17)
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n/an/an/an/a 9.96E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42118
PNG
((5Z)-1-allyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]meth...)
Show SMILES [O-][N+](=O)c1cccc(c1)[N+]1=CC=CC1=C[c-]1c(=O)[nH]c(=S)n(CC=C)c1=O |w:14.16,c:12,t:10|
Show InChI InChI=1S/C18H14N4O4S/c1-2-8-21-17(24)15(16(23)19-18(21)27)11-13-7-4-9-20(13)12-5-3-6-14(10-12)22(25)26/h2-7,9-11H,1,8H2,(H,19,23,27)
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n/an/an/an/a 5.36E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42122
PNG
(4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyc...)
Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(Cl)c1Cl |c:9|
Show InChI InChI=1S/C19H15Cl2NO2/c20-15-9-3-7-13(16(15)21)17-11-5-1-4-10(11)12-6-2-8-14(19(23)24)18(12)22-17/h1-4,6-11,17,22H,5H2,(H,23,24)
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n/an/an/an/a 2.67E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42125
PNG
(6-bromanyl-2-(5-methylfuran-2-yl)quinoline-4-carbo...)
Show SMILES Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
Show InChI InChI=1S/C15H10BrNO3/c1-8-2-5-14(20-8)13-7-11(15(18)19)10-6-9(16)3-4-12(10)17-13/h2-7H,1H3,(H,18,19)
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n/an/an/an/a 1.65E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42096
PNG
(3-[(E)-[2-(2-furanyl)-3-imidazo[1,2-a]pyridinyl]im...)
Show SMILES Oc1cccc(\C=N\c2c(nc3ccccn23)-c2ccco2)c1
Show InChI InChI=1S/C18H13N3O2/c22-14-6-3-5-13(11-14)12-19-18-17(15-7-4-10-23-15)20-16-8-1-2-9-21(16)18/h1-12,22H/b19-12+
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n/an/an/an/a 9.07E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42098
PNG
(2-(2,4-dichlorophenoxy)-N-[5-(2-furanyl)-1,3,4-thi...)
Show SMILES Clc1ccc(OCC(=O)Nc2nnc(s2)-c2ccco2)c(Cl)c1
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-8-3-4-10(9(16)6-8)22-7-12(20)17-14-19-18-13(23-14)11-2-1-5-21-11/h1-6H,7H2,(H,17,19,20)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42104
PNG
((2-ethylsulfanyl-7-methyl-6,8-dihydro-5H-pyrido[4,...)
Show SMILES CCSc1nc(NN)c2c3CCN(C)Cc3sc2n1
Show InChI InChI=1S/C12H17N5S2/c1-3-18-12-14-10(16-13)9-7-4-5-17(2)6-8(7)19-11(9)15-12/h3-6,13H2,1-2H3,(H,14,15,16)
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n/an/an/an/a 7.43E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42114
PNG
(4-(2,5-dimethyl-1-pyrrolyl)-3-methoxyaniline | 4-(...)
Show SMILES COc1cc(N)ccc1-n1c(C)ccc1C |(3.08,-.18,;4.41,.59,;5.75,-.18,;5.75,-1.72,;7.08,-2.49,;7.08,-4.03,;8.41,-1.72,;8.41,-.18,;7.08,.59,;7.08,2.13,;8.33,3.04,;9.79,2.56,;7.85,4.5,;6.31,4.5,;5.84,3.04,;4.37,2.56,)|
Show InChI InChI=1S/C13H16N2O/c1-9-4-5-10(2)15(9)12-7-6-11(14)8-13(12)16-3/h4-8H,14H2,1-3H3
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n/an/an/an/a 3.29E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42123
PNG
(BIM-0013886.P001 | cid_878844)
Show SMILES Nc1[nH]nc2ncc3cc4ccccc4nc3c12
Show InChI InChI=1S/C13H9N5/c14-12-10-11-8(6-15-13(10)18-17-12)5-7-3-1-2-4-9(7)16-11/h1-6H,(H3,14,15,17,18)
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n/an/an/an/a 3.74E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42081
PNG
(7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]tri...)
Show SMILES Clc1ccc(cc1)C1CC(=Nc2ncnn12)c1ccccc1 |c:10|
Show InChI InChI=1S/C17H13ClN4/c18-14-8-6-13(7-9-14)16-10-15(12-4-2-1-3-5-12)21-17-19-11-20-22(16)17/h1-9,11,16H,10H2
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n/an/an/an/a 1.42E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42086
PNG
(BIM-0020349.P001 | cid_2846808)
Show SMILES [Na+].[Na+].[O-]C(=O)c1ccccc1C1C2C=CC3=CC(=O)C=CC3=C2Oc2c1ccc1cc([O-])ccc21 |c:12,18,21,t:14|
Show InChI InChI=1S/C28H18O5.2Na/c29-17-7-11-19-15(13-17)5-9-23-25(21-3-1-2-4-22(21)28(31)32)24-10-6-16-14-18(30)8-12-20(16)27(24)33-26(19)23;;/h1-14,23,25,30H,(H,31,32);;/q;2*+1/p-2
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n/an/an/an/a 1.68E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42087
PNG
(7-[3-(dimethylamino)propylamino]-2-methyl-14H-naph...)
Show SMILES CN(C)CCCNc1cc2oc3ccc(C)cc3nc2c2c(O)c3ccccc3c(=O)c12
Show InChI InChI=1S/C26H25N3O3/c1-15-9-10-20-18(13-15)28-24-21(32-20)14-19(27-11-6-12-29(2)3)22-23(24)26(31)17-8-5-4-7-16(17)25(22)30/h4-5,7-10,13-14,27,31H,6,11-12H2,1-3H3
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n/an/an/an/a 670n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42108
PNG
((4Z)-1-(3-chloranyl-4-fluoranyl-phenyl)-4-(furan-2...)
Show SMILES Fc1ccc(cc1Cl)N1NC(=O)\C(=C\c2ccco2)C1=O
Show InChI InChI=1S/C14H8ClFN2O3/c15-11-6-8(3-4-12(11)16)18-14(20)10(13(19)17-18)7-9-2-1-5-21-9/h1-7H,(H,17,19)/b10-7-
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n/an/an/an/a 3.34E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42110
PNG
(9-nitro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopent...)
Show SMILES OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccccc1)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C19H16N2O4/c22-19(23)14-9-10-15(21(24)25)16-12-7-4-8-13(12)17(20-18(14)16)11-5-2-1-3-6-11/h1-7,9-10,12-13,17,20H,8H2,(H,22,23)
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n/an/an/an/a 3.92E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42115
PNG
(5-bromanyl-2-(2,5-dimethylpyrrol-1-yl)benzoic acid...)
Show SMILES Cc1ccc(C)n1-c1ccc(Br)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|
Show InChI InChI=1S/C13H12BrNO2/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)
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n/an/an/an/a 3.51E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM15186
PNG
(4-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...)
Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15|
Show InChI InChI=1S/C24H15ClN4O3/c1-11-16(21-12(2)18(10-27)23(28)29-22(21)17(11)9-26)8-14-4-6-20(32-14)13-3-5-15(24(30)31)19(25)7-13/h3-8,29H,1,28H2,2H3,(H,30,31)
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n/an/an/an/a 1.65E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42121
PNG
(6-iodanyl-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclope...)
Show SMILES Cc1cc(I)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|
Show InChI InChI=1S/C14H14INO2/c1-7-5-10-8-3-2-4-9(8)13(14(17)18)16-12(10)11(15)6-7/h2-3,5-6,8-9,13,16H,4H2,1H3,(H,17,18)
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n/an/an/an/a 2.07E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42124
PNG
(2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[1-[(4-me...)
Show SMILES CN1CCN(CN2C(=O)\C(=N/NC(=O)CSc3nc4ccccc4s3)c3ccccc23)CC1
Show InChI InChI=1S/C23H24N6O2S2/c1-27-10-12-28(13-11-27)15-29-18-8-4-2-6-16(18)21(22(29)31)26-25-20(30)14-32-23-24-17-7-3-5-9-19(17)33-23/h2-9H,10-15H2,1H3,(H,25,30)/b26-21-
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n/an/an/an/a 1.29E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42083
PNG
(BIM-0015619.P001 | cid_5338243 | potassium;4-amino...)
Show SMILES Nc1ccc(c2cccc(O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)/p-1
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n/an/an/an/a 1.05E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42089
PNG
(BIM-0022140.P001 | N-[(E)-(2,5-dimethoxybenzyliden...)
Show SMILES COc1ccc(OC)c(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)c1 |w:10.10|
Show InChI InChI=1S/C23H21N3O4/c1-29-20-8-9-22(30-2)19(14-20)15-24-25-23(28)18-10-12-26(13-11-18)16-21(27)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3/p+1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42090
PNG
(1-(2-pyridinyl)-N-[4-(2-pyridinylmethylideneamino)...)
Show SMILES C(=N/c1ccc(cc1)\N=C\c1ccccn1)\c1ccccn1
Show InChI InChI=1S/C18H14N4/c1-3-11-19-17(5-1)13-21-15-7-9-16(10-8-15)22-14-18-6-2-4-12-20-18/h1-14H/b21-13+,22-14+
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n/an/an/an/a 4.39E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42092
PNG
(6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfany...)
Show SMILES COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)C1c1ccco1 |c:12,t:15|
Show InChI InChI=1S/C27H22BrN3O4S/c1-16-24(26(33)31-20-6-3-4-7-22(20)34-2)25(23-8-5-13-35-23)19(14-29)27(30-16)36-15-21(32)17-9-11-18(28)12-10-17/h3-13,19,25H,15H2,1-2H3,(H,31,33)
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n/an/an/an/a 6.24E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42093
PNG
(4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopen...)
Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(cc1)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C19H16N2O4/c22-19(23)16-6-2-5-15-13-3-1-4-14(13)17(20-18(15)16)11-7-9-12(10-8-11)21(24)25/h1-3,5-10,13-14,17,20H,4H2,(H,22,23)
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n/an/an/an/a 5.41E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42097
PNG
(1',3'-bis(oxidanyl)spiro[2,5-dihydro-[1,2,4]triazo...)
Show SMILES OC1c2ccccc2C(=O)C11Nn2c(n[nH]c2=S)N=N1 |c:21|
Show InChI InChI=1S/C11H8N6O2S/c18-7-5-3-1-2-4-6(5)8(19)11(7)15-13-9-12-14-10(20)17(9)16-11/h1-4,7,16,18H,(H,14,20)
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n/an/an/an/a 2.38E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42099
PNG
(BIM-0026852.P001 | N-[(E)-1-(2-hydroxyethylcarbamo...)
Show SMILES CCOc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1
Show InChI InChI=1S/C21H24N2O4/c1-3-27-18-10-6-16(7-11-18)14-19(21(26)22-12-13-24)23-20(25)17-8-4-15(2)5-9-17/h4-11,14,24H,3,12-13H2,1-2H3,(H,22,26)(H,23,25)/b19-14+
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n/an/an/an/a 1.33E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42102
PNG
(5-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,2-dim...)
Show SMILES COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1O |c:19|
Show InChI InChI=1S/C26H24BrNO3/c1-26(2)12-17-23-15-7-5-4-6-14(15)8-9-19(23)28-25(24(17)21(30)13-26)16-10-22(31-3)20(29)11-18(16)27/h4-11,25,28-29H,12-13H2,1-3H3
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n/an/an/an/a 1.31E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM50312873
PNG
(4-(4-(pyridin-2-yl)thiazol-2-ylamino)phenol | 4-{[...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccn2)cc1
Show InChI InChI=1S/C14H11N3OS/c18-11-6-4-10(5-7-11)16-14-17-13(9-19-14)12-3-1-2-8-15-12/h1-9,18H,(H,16,17)
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n/an/an/an/a 3.69E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42105
PNG
(BIM-0029064.P001 | cid_1254332)
Show SMILES Cn1c2ccc(Nc3ccc(C=O)cc3)c3C(=O)c4ccccc4-c(cc1=O)c23
Show InChI InChI=1S/C24H16N2O3/c1-26-20-11-10-19(25-15-8-6-14(13-27)7-9-15)23-22(20)18(12-21(26)28)16-4-2-3-5-17(16)24(23)29/h2-13,25H,1H3
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n/an/an/an/a 8.04E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42111
PNG
(6-(pyrrolidine-1-carbonyl)-3a,4,5,9b-tetrahydro-3H...)
Show SMILES OC(=O)C1Nc2c(cccc2C(=O)N2CCCC2)C2C=CCC12 |c:21|
Show InChI InChI=1S/C18H20N2O3/c21-17(20-9-1-2-10-20)14-8-4-6-12-11-5-3-7-13(11)16(18(22)23)19-15(12)14/h3-6,8,11,13,16,19H,1-2,7,9-10H2,(H,22,23)
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n/an/an/an/a 4.95E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42112
PNG
(5-chloranyl-2-(2,5-dimethylpyrrol-1-yl)benzoic aci...)
Show SMILES Cc1ccc(C)n1-c1ccc(Cl)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|
Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)
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n/an/an/an/a 940n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42094
PNG
(2-[[1-(4-chlorobenzyl)indol-3-yl]methylene]indane-...)
Show SMILES Clc1ccc(-[#6]-n2cc(\[#6]=[#6]-3/[#6](=O)-c4ccccc4-[#6]-3=O)c3ccccc23)cc1
Show InChI InChI=1S/C25H16ClNO2/c26-18-11-9-16(10-12-18)14-27-15-17(19-5-3-4-8-23(19)27)13-22-24(28)20-6-1-2-7-21(20)25(22)29/h1-13,15H,14H2
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n/an/an/an/a 1.44E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42107
PNG
(1-(4-aminophenyl)-2-(4,6-dimethyl-2-pyrimidinyl)gu...)
Show SMILES Cc1cc(C)nc(NC(N)=Nc2ccc(N)cc2)n1 |w:10.10|
Show InChI InChI=1S/C13H16N6/c1-8-7-9(2)17-13(16-8)19-12(15)18-11-5-3-10(14)4-6-11/h3-7H,14H2,1-2H3,(H3,15,16,17,18,19)
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n/an/an/an/a 5.38E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM50303190
PNG
(3-(5-((2-(5-nitropyridin-2-yl)hydrazono)methyl)fur...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:15.16|
Show InChI InChI=1S/C17H12N4O5/c22-17(23)12-3-1-2-11(8-12)15-6-5-14(26-15)10-19-20-16-7-4-13(9-18-16)21(24)25/h1-9H,10H2,(H,22,23)
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n/an/an/an/a 9.64E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42080
PNG
(6,7-bis(chloranyl)-3-(4-methylphenyl)carbonyl-1-be...)
Show SMILES Cc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:21|
Show InChI InChI=1S/C16H8Cl2O4/c1-7-2-4-8(5-3-7)13(19)9-6-22-16-10(9)14(20)15(21)11(17)12(16)18/h2-6H,1H3
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n/an/an/an/a 6.17E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42101
PNG
(7-chloranyl-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclo...)
Show SMILES Cc1c(Cl)ccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
Show InChI InChI=1S/C14H14ClNO2/c1-7-11(15)6-5-10-8-3-2-4-9(8)13(14(17)18)16-12(7)10/h2-3,5-6,8-9,13,16H,4H2,1H3,(H,17,18)
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n/an/an/an/a 5.21E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42106
PNG
(1-(3-aminophenyl)-2-(4,6-dimethyl-2-pyrimidinyl)gu...)
Show SMILES Cc1cc(C)nc(NC(N)=Nc2cccc(N)c2)n1 |w:10.10|
Show InChI InChI=1S/C13H16N6/c1-8-6-9(2)17-13(16-8)19-12(15)18-11-5-3-4-10(14)7-11/h3-7H,14H2,1-2H3,(H3,15,16,17,18,19)
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n/an/an/an/a 5.45E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42079
PNG
(4-(3,4-diaminophenoxy)benzene-1,2-diamine | 4-[3,4...)
Show SMILES Nc1ccc(Oc2ccc(N)c(N)c2)cc1N
Show InChI InChI=1S/C12H14N4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
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n/an/an/an/a 5.37E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42082
PNG
(BIM-0015618.P001 | ammonium;8-anilino-1-naphthalen...)
Show SMILES [O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)/p-1
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n/an/an/an/a 2.95E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42031
PNG
(4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopen...)
Show SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(c1)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C19H16N2O4/c22-19(23)16-9-3-8-15-13-6-2-7-14(13)17(20-18(15)16)11-4-1-5-12(10-11)21(24)25/h1-6,8-10,13-14,17,20H,7H2,(H,22,23)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42100
PNG
(BIM-0027148.P001 | cid_4240945)
Show SMILES OC(=O)C1Nc2ccc3ccccc3c2C2C=CCC12 |c:18|
Show InChI InChI=1S/C17H15NO2/c19-17(20)16-13-7-3-6-12(13)15-11-5-2-1-4-10(11)8-9-14(15)18-16/h1-6,8-9,12-13,16,18H,7H2,(H,19,20)
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n/an/an/an/a 7.15E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42113
PNG
(5-(2,5-dimethyl-1-pyrrolyl)benzene-1,3-dicarboxyli...)
Show SMILES Cc1ccc(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-8-3-4-9(2)15(8)12-6-10(13(16)17)5-11(7-12)14(18)19/h3-7H,1-2H3,(H,16,17)(H,18,19)
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n/an/an/an/a 540n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42117
PNG
(2-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 2-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1ccccc1C(O)=O |(10.11,1.55,;8.64,2.03,;8.17,3.49,;6.63,3.49,;6.15,2.03,;4.72,2.61,;7.4,1.13,;7.4,-.41,;8.73,-1.18,;8.73,-2.72,;7.4,-3.49,;6.06,-2.72,;6.06,-1.18,;4.55,-1.45,;4.02,-2.9,;3.56,-.27,)|
Show InChI InChI=1S/C13H13NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/an/an/a 620n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42085
PNG
((Z)-4-[4-(dimethylamino)anilino]-4-keto-but-2-enoi...)
Show SMILES CN(C)c1ccc(NC(=O)\C=C/C(O)=O)cc1
Show InChI InChI=1S/C12H14N2O3/c1-14(2)10-5-3-9(4-6-10)13-11(15)7-8-12(16)17/h3-8H,1-2H3,(H,13,15)(H,16,17)/b8-7-
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n/an/an/an/a 2.04E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2R78CMH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%