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PubChem AID 2359

Compile data set for download or QSAR
Found 62 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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62183
PNG
(MLS-0425691.0001 | [1-[[1-(m-tolyl)imidazol-2-yl]m...)
Show SMILES COc1ccc(CC2(CO)CCN(Cc3nccn3-c3cccc(C)c3)CC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-20-4-3-5-22(16-20)28-15-12-26-24(28)18-27-13-10-25(19-29,11-14-27)17-21-6-8-23(30-2)9-7-21/h3-9,12,15-16,29H,10-11,13-14,17-19H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM45472
PNG
(MLS000519739 | N-[1-(cyclohexylamino)-2-methyl-1-o...)
Show SMILES CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O3/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-9,12-15,17H,3-6,10-11,16H2,1-2H3,(H,24,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62195
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(3,4-di...)
Show SMILES Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1Cl
Show InChI InChI=1S/C17H14Cl5N3O2S/c18-12-7-6-11(8-13(12)19)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62202
PNG
(4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-...)
Show SMILES CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H30N4O4S/c1-20(31)29-24-12-14-25(15-13-24)35(33,34)28-18-21-8-10-23(11-9-21)26(32)27-16-17-30(2)19-22-6-4-3-5-7-22/h3-15,28H,16-19H2,1-2H3,(H,27,32)(H,29,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62203
PNG
(2-(4-ketopyrrolo[1,2-a]quinoxalin-5-yl)-N-[3-[4-(4...)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H31N5O3/c1-35-22-11-9-21(10-12-22)30-18-16-29(17-19-30)14-5-13-28-26(33)20-32-24-7-3-2-6-23(24)31-15-4-8-25(31)27(32)34/h2-4,6-12,15H,5,13-14,16-20H2,1H3,(H,28,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62204
PNG
(MLS-0360688.0001 | N-[3-[4-(4-fluorophenyl)-1-pipe...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H28FN5O2/c27-20-8-10-21(11-9-20)30-17-15-29(16-18-30)13-4-12-28-25(33)19-32-23-6-2-1-5-22(23)31-14-3-7-24(31)26(32)34/h1-3,5-11,14H,4,12-13,15-19H2,(H,28,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54842
PNG
(MLS001123392 | SMR000627745 | cid_22553442)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-35-21-9-7-20(8-10-21)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62206
PNG
(MLS-0360328.0001 | cid_22553459)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O2/c1-20-8-9-21(2)24(18-20)31-16-14-30(15-17-31)12-5-11-28-25(34)19-33-26-22(6-3-10-29-26)32-13-4-7-23(32)27(33)35/h3-4,6-10,13,18H,5,11-12,14-17,19H2,1-2H3,(H,28,34)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62084
PNG
(MLS000519748 | N-[1-(cyclopentylcarbamoyl)cyclohex...)
Show SMILES O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Show InChI InChI=1S/C22H28N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62187
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(2,4-di...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(C)c1
Show InChI InChI=1S/C19H20Cl3N3O2S/c1-12-8-9-15(13(2)10-12)23-17(28)24-16(19(20,21)22)25-18(26)27-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,25,26)(H2,23,24,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62189
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(di...)
Show SMILES CN(C)C(CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1)c1ccccc1
Show InChI InChI=1S/C26H29N3O4S/c1-19(30)21-13-15-24(16-14-21)34(32,33)28-17-20-9-11-23(12-10-20)26(31)27-18-25(29(2)3)22-7-5-4-6-8-22/h4-16,25,28H,17-18H2,1-3H3,(H,27,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62196
PNG
((phenylmethyl) N-[1-[(4-bromophenyl)carbamothioyla...)
Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrCl3N3O2S/c18-12-6-8-13(9-7-12)22-15(27)23-14(17(19,20)21)24-16(25)26-10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,24,25)(H2,22,23,27)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54777
PNG
(MLS000095008 | N-[1-(cyclohexylamino)-2-methyl-1-o...)
Show SMILES CCC(C)(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H28N4O3/c1-3-21(2,20(27)24-16-8-5-4-6-9-16)25(15-17-10-7-13-28-17)19(26)18-14-22-11-12-23-18/h7,10-14,16H,3-6,8-9,15H2,1-2H3,(H,24,27)
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n/an/an/an/a 1.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54803
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[[2,4,6-...)
Show SMILES Clc1cc(Cl)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl6N3O2S/c18-10-6-11(19)13(12(20)7-10)24-15(29)25-14(17(21,22)23)26-16(27)28-8-9-4-2-1-3-5-9/h1-7,14H,8H2,(H,26,27)(H2,24,25,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62174
PNG
(MLS-0015756.0001 | N-cyclohexyl-N-[(2-keto-1H-quin...)
Show SMILES O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H23N3O2/c26-21-17(14-16-8-4-5-11-19(16)24-21)15-25(18-9-2-1-3-10-18)22(27)20-12-6-7-13-23-20/h4-8,11-14,18H,1-3,9-10,15H2,(H,24,26)
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n/an/an/an/a 1.81E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62177
PNG
(MLS-0391854.0001 | N-[(2-keto-6-methyl-1H-quinolin...)
Show SMILES CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c1-3-10-23(20(25)18-6-4-5-9-21-18)13-16-12-15-11-14(2)7-8-17(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM42469
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-tr...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C19H15BrN4OS/c20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16/h1-11H,12-13H2
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n/an/an/an/a 1.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62201
PNG
(4-methoxy-N-[[4-[4-(phenylmethyl)piperazin-1-yl]ca...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H29N3O4S/c1-33-24-11-13-25(14-12-24)34(31,32)27-19-21-7-9-23(10-8-21)26(30)29-17-15-28(16-18-29)20-22-5-3-2-4-6-22/h2-14,27H,15-20H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62173
PNG
(2-(3-keto-1,4-benzoxazin-4-yl)-N-p-anisyl-N-(2-pyr...)
Show SMILES COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc23)cc1
Show InChI InChI=1S/C24H23N3O4/c1-30-20-11-9-18(10-12-20)14-26(15-19-6-4-5-13-25-19)23(28)16-27-21-7-2-3-8-22(21)31-17-24(27)29/h2-13H,14-17H2,1H3
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n/an/an/an/a 1.01E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62188
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(2,5-di...)
Show SMILES Cc1ccc(C)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C19H20Cl3N3O2S/c1-12-8-9-13(2)15(10-12)23-17(28)24-16(19(20,21)22)25-18(26)27-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,25,26)(H2,23,24,28)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54784
PNG
(2-[5-[(4-tert-butylbenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C23H24N4OS/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-26-25-21(20-8-4-5-13-24-20)27(22)15-19-7-6-14-28-19/h4-14H,15-16H2,1-3H3
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n/an/an/an/a 600n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54774
PNG
(MLS000041397 | N-(4-chloranyl-2-methoxy-5-methyl-p...)
Show SMILES COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C22H20ClN5O3S/c1-14-10-18(19(30-2)11-16(14)23)25-20(29)13-32-22-27-26-21(17-7-3-4-8-24-17)28(22)12-15-6-5-9-31-15/h3-11H,12-13H2,1-2H3,(H,25,29)
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n/an/an/an/a 1.63E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54773
PNG
(2-[5-[(3-chlorobenzyl)thio]-4-(2-furfuryl)-1,2,4-t...)
Show SMILES Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
Show InChI InChI=1S/C19H15ClN4OS/c20-15-6-3-5-14(11-15)13-26-19-23-22-18(17-8-1-2-9-21-17)24(19)12-16-7-4-10-25-16/h1-11H,12-13H2
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n/an/an/an/a 3.63E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62180
PNG
(2-[5-[(2-chlorobenzyl)thio]-4-(2-furfuryl)-1,2,4-t...)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C19H15ClN4OS/c20-16-8-2-1-6-14(16)13-26-19-23-22-18(17-9-3-4-10-21-17)24(19)12-15-7-5-11-25-15/h1-11H,12-13H2
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n/an/an/an/a 1.04E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54779
PNG
(MLS000048990 | N-(1-{[(2,6-dimethylphenyl)amino]ca...)
Show SMILES Cc1cccc(C)c1NC(=O)C1(CCCC1)N(Cc1ccco1)C(=O)c1ccccn1
Show InChI InChI=1S/C25H27N3O3/c1-18-9-7-10-19(2)22(18)27-24(30)25(13-4-5-14-25)28(17-20-11-8-16-31-20)23(29)21-12-3-6-15-26-21/h3,6-12,15-16H,4-5,13-14,17H2,1-2H3,(H,27,30)
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n/an/an/an/a 1.11E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62197
PNG
((phenylmethyl) N-[1-[(3-bromophenyl)carbamothioyla...)
Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1cccc(Br)c1
Show InChI InChI=1S/C17H15BrCl3N3O2S/c18-12-7-4-8-13(9-12)22-15(27)23-14(17(19,20)21)24-16(25)26-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,24,25)(H2,22,23,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62205
PNG
(MLS-0371135.0001 | cid_22553446)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C25H27FN6O2/c26-19-6-8-20(9-7-19)30-16-14-29(15-17-30)12-3-11-27-23(33)18-32-24-21(4-1-10-28-24)31-13-2-5-22(31)25(32)34/h1-2,4-10,13H,3,11-12,14-18H2,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54833
PNG
(4-ethoxy-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]no...)
Show SMILES [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(OCC)cc1)N2Cc1ccccc1
Show InChI InChI=1S/C24H30N2O2/c1-2-28-23-13-11-19(12-14-23)24(27)25-20-15-21-9-6-10-22(16-20)26(21)17-18-7-4-3-5-8-18/h3-5,7-8,11-14,20-22H,2,6,9-10,15-17H2,1H3,(H,25,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54816
PNG
(4-methyl-N-[9-(4-methylbenzyl)-9-azabicyclo[3.3.1]...)
Show SMILES [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2Cc1ccc(C)cc1
Show InChI InChI=1S/C24H30N2O/c1-17-6-10-19(11-7-17)16-26-22-4-3-5-23(26)15-21(14-22)25-24(27)20-12-8-18(2)9-13-20/h6-13,21-23H,3-5,14-16H2,1-2H3,(H,25,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54805
PNG
((phenylmethyl) N-[1-[[2,6-bis(chloranyl)phenyl]car...)
Show SMILES Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-7-4-8-12(19)13(11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62178
PNG
(MLS-0019234.0001 | N-[(2-keto-6-methyl-1H-quinolin...)
Show SMILES CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C18H17N3O2/c1-12-6-7-15-13(9-12)10-14(17(22)20-15)11-21(2)18(23)16-5-3-4-8-19-16/h3-10H,11H2,1-2H3,(H,20,22)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62198
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-fluo...)
Show SMILES Fc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C17H15Cl3FN3O2S/c18-17(19,20)14(23-15(27)22-13-8-6-12(21)7-9-13)24-16(25)26-10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,24,25)(H2,22,23,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM57352
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(3-chlo...)
Show SMILES Clc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
Show InChI InChI=1S/C17H15Cl4N3O2S/c18-12-7-4-8-13(9-12)22-15(27)23-14(17(19,20)21)24-16(25)26-10-11-5-2-1-3-6-11/h1-9,14H,10H2,(H,24,25)(H2,22,23,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM46582
PNG
((4Z)-4-[[(7-chloro-4-quinolinyl)hydrazo]methyliden...)
Show SMILES Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
Show InChI InChI=1S/C16H12ClN3O2/c17-11-2-3-12-13(5-6-18-14(12)8-11)20-19-9-10-1-4-15(21)16(22)7-10/h1-8,21-22H,9H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62176
PNG
(MLS-0005116.0001 | N-butyl-N-[(2-keto-6-methoxy-1H...)
Show SMILES CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C21H23N3O3/c1-3-4-11-24(21(26)19-7-5-6-10-22-19)14-16-12-15-13-17(27-2)8-9-18(15)23-20(16)25/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)
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n/an/an/an/a 1.99E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62179
PNG
(1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-py...)
Show SMILES Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H15ClN4O2S/c21-15-8-6-14(7-9-15)18(26)13-28-20-24-23-19(17-5-1-2-10-22-17)25(20)12-16-4-3-11-27-16/h1-11H,12-13H2
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n/an/an/an/a 7.66E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62182
PNG
(2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-tria...)
Show SMILES COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C22H21N5O3S/c1-15-8-9-19(29-2)18(12-15)24-20(28)14-31-22-26-25-21(17-7-3-4-10-23-17)27(22)13-16-6-5-11-30-16/h3-12H,13-14H2,1-2H3,(H,24,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54778
PNG
(2-[4-(2-furanylmethyl)-5-[[(E)-3-phenylprop-2-enyl...)
Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)\C=C\c1ccccc1
Show InChI InChI=1S/C21H18N4OS/c1-2-8-17(9-3-1)10-7-15-27-21-24-23-20(19-12-4-5-13-22-19)25(21)16-18-11-6-14-26-18/h1-14H,15-16H2/b10-7+
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n/an/an/an/a 1.43E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62199
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-(phenylc...)
Show SMILES ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1
Show InChI InChI=1S/C17H16Cl3N3O2S/c18-17(19,20)14(22-15(26)21-13-9-5-2-6-10-13)23-16(24)25-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24)(H2,21,22,26)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM47739
PNG
(MLS000586341 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
Show InChI InChI=1S/C23H30N4O2S/c28-21(20-16-24-13-14-25-20)27(17-19-10-7-15-30-19)23(11-5-2-6-12-23)22(29)26-18-8-3-1-4-9-18/h7,10,13-16,18H,1-6,8-9,11-12,17H2,(H,26,29)
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n/an/an/an/a 141n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM47530
PNG
(4-methyl-N-[[4-[4-(phenylmethyl)piperazin-1-yl]car...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-21-7-13-25(14-8-21)33(31,32)27-19-22-9-11-24(12-10-22)26(30)29-17-15-28(16-18-29)20-23-5-3-2-4-6-23/h2-14,27H,15-20H2,1H3
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54781
PNG
(2-(3-keto-1,4-benzoxazin-4-yl)-N-(tetrahydrofurfur...)
Show SMILES COc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)COc3ccccc23)cc1OC
Show InChI InChI=1S/C24H28N2O6/c1-29-21-10-9-17(12-22(21)30-2)13-25(14-18-6-5-11-31-18)23(27)15-26-19-7-3-4-8-20(19)32-16-24(26)28/h3-4,7-10,12,18H,5-6,11,13-16H2,1-2H3
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n/an/an/an/a 4.88E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54836
PNG
(4-[1-[(7-chloro-4-quinolinyl)hydrazo]propylidene]-...)
Show SMILES CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 |w:3.2|
Show InChI InChI=1S/C18H16ClN3O/c1-2-16(12-3-6-14(23)7-4-12)21-22-17-9-10-20-18-11-13(19)5-8-15(17)18/h3-11,16,23H,2H2,1H3
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54775
PNG
(2-[5-[(2,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N4OS/c20-14-7-6-13(16(21)10-14)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-15-4-3-9-26-15/h1-10H,11-12H2
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n/an/an/an/a 929n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54788
PNG
(MLS000778656 | N-butyl-N-[(2-keto-6-methyl-1H-quin...)
Show SMILES CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C21H23N3O2/c1-3-4-11-24(21(26)19-7-5-6-10-22-19)14-17-13-16-12-15(2)8-9-18(16)23-20(17)25/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)
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n/an/an/an/a 4.93E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54783
PNG
(MLS000551700 | N-butyl-N-[(2-keto-1H-quinolin-3-yl...)
Show SMILES CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c1-2-3-12-23(20(25)18-10-6-7-11-21-18)14-16-13-15-8-4-5-9-17(15)22-19(16)24/h4-11,13H,2-3,12,14H2,1H3,(H,22,24)
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n/an/an/an/a 5.31E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62175
PNG
(MLS-0015758.0001 | N-[(2-keto-7-methyl-1H-quinolin...)
Show SMILES CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C20H21N3O2/c1-3-10-23(20(25)17-6-4-5-9-21-17)13-16-12-15-8-7-14(2)11-18(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62184
PNG
(MLS-0425692.0001 | [1-[[1-(3-methylphenyl)-2-imida...)
Show SMILES Cc1cccc(c1)-n1ccnc1CN1CCC(CO)(CC2CCCCO2)CC1
Show InChI InChI=1S/C23H33N3O2/c1-19-5-4-6-20(15-19)26-13-10-24-22(26)17-25-11-8-23(18-27,9-12-25)16-21-7-2-3-14-28-21/h4-6,10,13,15,21,27H,2-3,7-9,11-12,14,16-18H2,1H3
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n/an/an/an/a 5.82E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM40197
PNG
((2Z)-2-[(8-quinolinylamino)methylidene]-1-benzothi...)
Show SMILES Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
Show InChI InChI=1S/C18H12N2OS/c21-18-13-7-1-2-9-15(13)22-16(18)11-20-14-8-3-5-12-6-4-10-19-17(12)14/h1-11,21H
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62194
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(2,4-di...)
Show SMILES Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl5N3O2S/c18-11-6-7-13(12(19)8-11)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM54785
PNG
(MLS000729763 | N-[1-(cyclopentylamino)-2-methyl-1-...)
Show SMILES CCC(C)(N(Cc1cccs1)C(=O)c1ccccn1)C(=O)NC1CCCC1
Show InChI InChI=1S/C21H27N3O2S/c1-3-21(2,20(26)23-16-9-4-5-10-16)24(15-17-11-8-14-27-17)19(25)18-12-6-7-13-22-18/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3,(H,23,26)
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n/an/an/an/a 806n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62185
PNG
(MLS-0075520.0001 | N-[1-(cyclohexylcarbamoyl)cyclo...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
Show InChI InChI=1S/C24H31N3O3/c28-22(21-13-5-8-16-25-21)27(18-20-12-9-17-30-20)24(14-6-2-7-15-24)23(29)26-19-10-3-1-4-11-19/h5,8-9,12-13,16-17,19H,1-4,6-7,10-11,14-15,18H2,(H,26,29)
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n/an/an/an/a 125n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM60248
PNG
(MLS000729783 | N-[1-(cyclohexylcarbamoyl)cyclohexy...)
Show SMILES O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1
Show InChI InChI=1S/C24H31N3O2S/c28-22(21-13-5-8-16-25-21)27(18-20-12-9-17-30-20)24(14-6-2-7-15-24)23(29)26-19-10-3-1-4-11-19/h5,8-9,12-13,16-17,19H,1-4,6-7,10-11,14-15,18H2,(H,26,29)
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n/an/an/an/a<60n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62207
PNG
(MLS-0362777.0001 | cid_24791925)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)CCn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C28H34N6O2/c1-21-8-9-22(2)25(20-21)32-18-16-31(17-19-32)13-5-12-29-26(35)10-15-34-27-23(6-3-11-30-27)33-14-4-7-24(33)28(34)36/h3-4,6-9,11,14,20H,5,10,12-13,15-19H2,1-2H3,(H,29,35)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62186
PNG
(MLS-0425703.0001 | N-[1-[(4-bromoanilino)-oxomethy...)
Show SMILES Brc1ccc(NC(=O)C2(CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)cc1
Show InChI InChI=1S/C24H24BrN3O3/c25-18-9-11-19(12-10-18)27-23(30)24(13-3-1-4-14-24)28(17-20-7-6-16-31-20)22(29)21-8-2-5-15-26-21/h2,5-12,15-16H,1,3-4,13-14,17H2,(H,27,30)
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n/an/an/an/a 98.3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62190
PNG
(4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-(3-...)
Show SMILES CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C25H24FN3O5S/c1-17(30)19-10-12-23(13-11-19)35(33,34)27-15-18-6-8-20(9-7-18)25(32)29(2)16-24(31)28-22-5-3-4-21(26)14-22/h3-14,27H,15-16H2,1-2H3,(H,28,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62181
PNG
(2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-tria...)
Show SMILES COc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C21H18N4O3S/c1-27-16-9-7-15(8-10-16)19(26)14-29-21-24-23-20(18-6-2-3-11-22-18)25(21)13-17-5-4-12-28-17/h2-12H,13-14H2,1H3
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62191
PNG
(MLS-0071544.0001 | N-[4-(4-benzylpiperazine-1-carb...)
Show SMILES O=C(N1CCN(Cc2ccccc2)CC1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H27N3O3S/c29-25(28-17-15-27(16-18-28)20-22-7-3-1-4-8-22)23-13-11-21(12-14-23)19-26-32(30,31)24-9-5-2-6-10-24/h1-14,26H,15-20H2
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62192
PNG
((4Z)-4-[[(5-chloranylquinolin-8-yl)amino]methylide...)
Show SMILES Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c2cccnc12 |w:15.17|
Show InChI InChI=1S/C21H17ClN4O/c1-13-5-7-15(8-6-13)26-21(27)17(14(2)25-26)12-24-19-10-9-18(22)16-4-3-11-23-20(16)19/h3-12,25H,1-2H3/b24-12+
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n/an/an/an/a 3.85E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62200
PNG
(4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[2-[m...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C)Cc1ccccc1
Show InChI InChI=1S/C25H29N3O4S/c1-28(19-21-6-4-3-5-7-21)17-16-26-25(29)22-10-8-20(9-11-22)18-27-33(30,31)24-14-12-23(32-2)13-15-24/h3-15,27H,16-19H2,1-2H3,(H,26,29)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM62193
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(4-meth...)
Show SMILES Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
Show InChI InChI=1S/C18H18Cl3N3O2S/c1-12-7-9-14(10-8-12)22-16(27)23-15(18(19,20)21)24-17(25)26-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,24,25)(H2,22,23,27)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%