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PubChem AID 2285

Compile data set for download or QSAR
Found 32 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))		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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n/an/a 846n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 850n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.67E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 2.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 3.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 3.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 4.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 6.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 6.72E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 8.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 8.77E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
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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n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%