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PubChem AID 463105

Compile data set for download or QSAR
Found 34 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))
BDBM75580
PNG
(2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-11-12-27-21-32(17-15-25(27)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)
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n/an/a 46.7n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75566
PNG
(KSC-11-114-1 | KUC105392N | N-[2-[benzyl(tert-buty...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-22-10-16-26(17-11-22)35(33,34)30-20-23-12-14-25(15-13-23)27(32)29-18-19-31(28(2,3)4)21-24-8-6-5-7-9-24/h5-17,30H,18-21H2,1-4H3,(H,29,32)
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n/an/a 76.3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75585
PNG
(KSC-11-180-1 | KUC105606N | N-[2-[benzyl(cyclopent...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C1CCCC1
Show InChI InChI=1S/C29H35N3O3S/c1-23-11-17-28(18-12-23)36(34,35)31-21-24-13-15-26(16-14-24)29(33)30-19-20-32(27-9-5-6-10-27)22-25-7-3-2-4-8-25/h2-4,7-8,11-18,27,31H,5-6,9-10,19-22H2,1H3,(H,30,33)
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n/an/a 558n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75588
PNG
(KSC-16-69 | KUC105609N | cid_45479168)
Show SMILES COc1ccc(cc1)N1CCN(CCCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C28H34N6O3/c1-21-11-13-30-27-26(21)33-15-5-6-24(33)28(36)34(27)20-25(35)29-12-3-4-14-31-16-18-32(19-17-31)22-7-9-23(37-2)10-8-22/h5-11,13,15H,3-4,12,14,16-20H2,1-2H3,(H,29,35)
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n/an/a 907n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75569
PNG
(4-[[(4-tert-amylphenyl)sulfonylamino]methyl]-N-[2-...)
Show SMILES CCC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C31H41N3O3S/c1-6-31(4,5)28-16-18-29(19-17-28)38(36,37)33-22-25-12-14-27(15-13-25)30(35)32-20-21-34(24(2)3)23-26-10-8-7-9-11-26/h7-19,24,33H,6,20-23H2,1-5H3,(H,32,35)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75568
PNG
(KSC-11-120-1 | KUC105394N | N-[2-[(phenylmethyl)-p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C32H35N3O3S/c1-25(2)35(24-27-9-5-3-6-10-27)22-21-33-32(36)30-15-13-26(14-16-30)23-34-39(37,38)31-19-17-29(18-20-31)28-11-7-4-8-12-28/h3-20,25,34H,21-24H2,1-2H3,(H,33,36)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75579
PNG
(KSC-11-155-1 | KUC105600N | N-[2-[(phenylmethyl)-p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)C)cc1)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O3S/c1-22(2)26-14-16-28(17-15-26)36(34,35)31-20-24-10-12-27(13-11-24)29(33)30-18-19-32(23(3)4)21-25-8-6-5-7-9-25/h5-17,22-23,31H,18-21H2,1-4H3,(H,30,33)
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n/an/a 1.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75575
PNG
(4-[[(4-butan-2-ylphenyl)sulfonylamino]methyl]-N-[2...)
Show SMILES CCC(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C30H39N3O3S/c1-5-24(4)27-15-17-29(18-16-27)37(35,36)32-21-25-11-13-28(14-12-25)30(34)31-19-20-33(23(2)3)22-26-9-7-6-8-10-26/h6-18,23-24,32H,5,19-22H2,1-4H3,(H,31,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75558
PNG
(4-[(benzylsulfonylamino)methyl]-N-[2-[(4-methoxyph...)
Show SMILES COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)C(C)C)cc1
Show InChI InChI=1S/C28H35N3O4S/c1-22(2)31(20-24-11-15-27(35-3)16-12-24)18-17-29-28(32)26-13-9-23(10-14-26)19-30-36(33,34)21-25-7-5-4-6-8-25/h4-16,22,30H,17-21H2,1-3H3,(H,29,32)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75570
PNG
(KSC-11-128-1 | KUC105396N | N-[2-[(phenylmethyl)-p...)
Show SMILES CCCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C29H37N3O3S/c1-4-8-24-13-17-28(18-14-24)36(34,35)31-21-25-11-15-27(16-12-25)29(33)30-19-20-32(23(2)3)22-26-9-6-5-7-10-26/h5-7,9-18,23,31H,4,8,19-22H2,1-3H3,(H,30,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75572
PNG
(4-[(2-naphthalenylsulfonylamino)methyl]-N-[2-[(phe...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1)Cc1ccccc1
Show InChI InChI=1S/C30H33N3O3S/c1-23(2)33(22-25-8-4-3-5-9-25)19-18-31-30(34)27-14-12-24(13-15-27)21-32-37(35,36)29-17-16-26-10-6-7-11-28(26)20-29/h3-17,20,23,32H,18-19,21-22H2,1-2H3,(H,31,34)
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n/an/a 2.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75555
PNG
(4-[[(2-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2C)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-10-5-4-6-11-24)18-17-28-27(31)25-15-13-23(14-16-25)19-29-34(32,33)26-12-8-7-9-22(26)3/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75571
PNG
(4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-[2...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1)Cc1ccccc1
Show InChI InChI=1S/C30H39N3O3S/c1-23(2)33(22-25-9-7-6-8-10-25)20-19-31-29(34)26-13-11-24(12-14-26)21-32-37(35,36)28-17-15-27(16-18-28)30(3,4)5/h6-18,23,32H,19-22H2,1-5H3,(H,31,34)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75567
PNG
(4-[[(4-butylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C30H39N3O3S/c1-4-5-9-25-14-18-29(19-15-25)37(35,36)32-22-26-12-16-28(17-13-26)30(34)31-20-21-33(24(2)3)23-27-10-7-6-8-11-27/h6-8,10-19,24,32H,4-5,9,20-23H2,1-3H3,(H,31,34)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75562
PNG
(KSC-11-86-1 | KUC104619N | N-[2-[methyl-[(1R)-1-ph...)
Show SMILES C[C@@H](N(C)CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-20-9-15-25(16-10-20)33(31,32)28-19-22-11-13-24(14-12-22)26(30)27-17-18-29(3)21(2)23-7-5-4-6-8-23/h4-16,21,28H,17-19H2,1-3H3,(H,27,30)/t21-/m1/s1
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n/an/a 3.38E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75556
PNG
(4-[[(4-cyanophenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C#N)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H30N4O3S/c1-21(2)31(20-24-6-4-3-5-7-24)17-16-29-27(32)25-12-8-23(9-13-25)19-30-35(33,34)26-14-10-22(18-28)11-15-26/h3-15,21,30H,16-17,19-20H2,1-2H3,(H,29,32)
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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: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75573
PNG
(4-[[[4-(2-methylpropyl)phenyl]sulfonylamino]methyl...)
Show SMILES CC(C)Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C30H39N3O3S/c1-23(2)20-25-12-16-29(17-13-25)37(35,36)32-21-26-10-14-28(15-11-26)30(34)31-18-19-33(24(3)4)22-27-8-6-5-7-9-27/h5-17,23-24,32H,18-22H2,1-4H3,(H,31,34)
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n/an/a 4.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75564
PNG
(KSC-1-274 | KUC104621N | cid_44968273)
Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H29BrN6O2/c1-19-5-7-21(8-6-19)31-14-12-30(13-15-31)10-3-9-28-24(34)18-33-25-23(16-20(27)17-29-25)32-11-2-4-22(32)26(33)35/h2,4-8,11,16-17H,3,9-10,12-15,18H2,1H3,(H,28,34)
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n/an/a 9.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75581
PNG
(2-(4-methylphenyl)sulfonyl-N-[2-[(phenylmethyl)-pr...)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CCN(Cc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
Show InChI InChI=1S/C29H35N3O3S/c1-22(2)31(20-24-7-5-4-6-8-24)18-16-30-29(33)26-12-11-25-15-17-32(21-27(25)19-26)36(34,35)28-13-9-23(3)10-14-28/h4-14,19,22H,15-18,20-21H2,1-3H3,(H,30,33)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75557
PNG
(KSC-11-76-1 | KUC104614N | N-[2-[(phenylmethyl)-pr...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-22(2)30(20-24-9-5-3-6-10-24)18-17-28-27(31)26-15-13-23(14-16-26)19-29-34(32,33)21-25-11-7-4-8-12-25/h3-16,22,29H,17-21H2,1-2H3,(H,28,31)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75587
PNG
(KSC-16-61 | KUC105608N | cid_45479166)
Show SMILES COc1ccc(cc1)N1CCN(CCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-19-9-10-28-25-24(19)31-12-3-4-22(31)26(34)32(25)18-23(33)27-11-13-29-14-16-30(17-15-29)20-5-7-21(35-2)8-6-20/h3-10,12H,11,13-18H2,1-2H3,(H,27,33)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75576
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[1-(ph...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H31N3O3S/c1-21-9-15-26(16-10-21)34(32,33)28-18-22-11-13-24(14-12-22)27(31)29-25-8-5-17-30(20-25)19-23-6-3-2-4-7-23/h2-4,6-7,9-16,25,28H,5,8,17-20H2,1H3,(H,29,31)
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n/an/a 1.86E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75586
PNG
(KSC-11-152-1 | KUC105607N | N-[2-(3,4-dihydro-1H-i...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCc2ccccc2C1
Show InChI InChI=1S/C26H29N3O3S/c1-20-6-12-25(13-7-20)33(31,32)28-18-21-8-10-23(11-9-21)26(30)27-15-17-29-16-14-22-4-2-3-5-24(22)19-29/h2-13,28H,14-19H2,1H3,(H,27,30)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75582
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C27H32N4O3S/c1-22-7-13-26(14-8-22)35(33,34)29-21-23-9-11-24(12-10-23)27(32)28-15-16-30-17-19-31(20-18-30)25-5-3-2-4-6-25/h2-14,29H,15-21H2,1H3,(H,28,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75574
PNG
(4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-[2...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C2CCCCC2)cc1)Cc1ccccc1
Show InChI InChI=1S/C32H41N3O3S/c1-25(2)35(24-27-9-5-3-6-10-27)22-21-33-32(36)30-15-13-26(14-16-30)23-34-39(37,38)31-19-17-29(18-20-31)28-11-7-4-8-12-28/h3,5-6,9-10,13-20,25,28,34H,4,7-8,11-12,21-24H2,1-2H3,(H,33,36)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75583
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-22-7-13-27(14-8-22)35(33,34)30-21-23-9-11-26(12-10-23)28(32)29-17-20-31-18-15-25(16-19-31)24-5-3-2-4-6-24/h2-14,25,30H,15-21H2,1H3,(H,29,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75578
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[1-(ph...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H29N3O3S/c1-20-7-13-25(14-8-20)33(31,32)27-17-21-9-11-23(12-10-21)26(30)28-24-15-16-29(19-24)18-22-5-3-2-4-6-22/h2-14,24,27H,15-19H2,1H3,(H,28,30)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75561
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(4...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H32N4O5S/c1-20(2)30(19-23-8-12-25(13-9-23)31(33)34)17-16-28-27(32)24-10-6-22(7-11-24)18-29-37(35,36)26-14-4-21(3)5-15-26/h4-15,20,29H,16-19H2,1-3H3,(H,28,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75560
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[2-...)
Show SMILES CC(C)CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O3S/c1-22(2)20-31(21-25-7-5-4-6-8-25)18-17-29-28(32)26-13-11-24(12-14-26)19-30-35(33,34)27-15-9-23(3)10-16-27/h4-16,22,30H,17-21H2,1-3H3,(H,29,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75559
PNG
(3-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-23-8-5-4-6-9-23)17-16-28-27(31)25-11-7-10-24(18-25)19-29-34(32,33)26-14-12-22(3)13-15-26/h4-15,18,21,29H,16-17,19-20H2,1-3H3,(H,28,31)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75584
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-23-8-14-27(15-9-23)36(34,35)30-22-24-10-12-25(13-11-24)28(33)29-16-5-17-31-18-20-32(21-19-31)26-6-3-2-4-7-26/h2-4,6-15,30H,5,16-22H2,1H3,(H,29,33)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75563
PNG
(KSC-11-79-1 | KUC104620N | N-[2-[(4-methoxyphenyl)...)
Show SMILES COc1ccc(CN(CCNC(=O)c2cccc(CNS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1
Show InChI InChI=1S/C28H35N3O4S/c1-21(2)31(20-23-10-12-26(35-4)13-11-23)17-16-29-28(32)25-7-5-6-24(18-25)19-30-36(33,34)27-14-8-22(3)9-15-27/h5-15,18,21,30H,16-17,19-20H2,1-4H3,(H,29,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75565
PNG
(KSC-1-276 | KUC104622N | cid_44968279)
Show SMILES Brc1cnc2n(CC(=O)NCCCN3CCN(CC3)c3ccccc3)c(=O)c3cccn3c2c1
Show InChI InChI=1S/C25H27BrN6O2/c26-19-16-22-24(28-17-19)32(25(34)21-8-4-11-31(21)22)18-23(33)27-9-5-10-29-12-14-30(15-13-29)20-6-2-1-3-7-20/h1-4,6-8,11,16-17H,5,9-10,12-15,18H2,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75577
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[1-(ph...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H31N3O3S/c1-21-7-13-26(14-8-21)34(32,33)28-19-22-9-11-24(12-10-22)27(31)29-25-15-17-30(18-16-25)20-23-5-3-2-4-6-23/h2-14,25,28H,15-20H2,1H3,(H,29,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%