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PubChem AID 2284

Compile data set for download or QSAR
Found 30 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))
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 4.05E+3n/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/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 2.01E+3n/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/Q2N014Z3
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 6.76E+3n/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/Q2N014Z3
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 821n/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/Q2N014Z3
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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n/an/an/an/a 645n/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/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 8.10E+3n/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/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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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n/an/an/an/a 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
More data for this
Ligand-Target Pair
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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n/an/an/an/a 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 423n/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/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 2.07E+3n/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/Q2N014Z3
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 116n/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/Q2N014Z3
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 444n/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/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.92E+3n/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/Q2N014Z3
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 2.22E+3n/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/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 7.69E+3n/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/Q2N014Z3
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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n/an/an/an/a 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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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n/an/an/an/a 1.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2N014Z3
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 1.86E+3n/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/Q2N014Z3
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 3.71E+3n/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/Q2N014Z3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%