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PubChem AID 488819

Compile data set for download or QSAR
Found 42 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))
BDBM71573
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(4-...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(C)cc1)C(C)C
Show InChI InChI=1S/C29H37N3O3S/c1-5-24-12-16-28(17-13-24)36(34,35)31-20-25-10-14-27(15-11-25)29(33)30-18-19-32(22(2)3)21-26-8-6-23(4)7-9-26/h6-17,22,31H,5,18-21H2,1-4H3,(H,30,33)
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n/an/a 173n/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/Q27P8WW4
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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71582
PNG
(KSC-5-280D | KUC104163N | N-[2-[(4-methylphenyl)me...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(C)cc1
Show InChI InChI=1S/C28H35N3O3S/c1-21(2)31(20-25-9-5-22(3)6-10-25)18-17-29-28(32)26-13-11-24(12-14-26)19-30-35(33,34)27-15-7-23(4)8-16-27/h5-16,21,30H,17-20H2,1-4H3,(H,29,32)
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n/an/a 246n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71590
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(4-...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(OC)cc1)C(C)C
Show InChI InChI=1S/C29H37N3O4S/c1-5-23-10-16-28(17-11-23)37(34,35)31-20-24-6-12-26(13-7-24)29(33)30-18-19-32(22(2)3)21-25-8-14-27(36-4)15-9-25/h6-17,22,31H,5,18-21H2,1-4H3,(H,30,33)
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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/Q27P8WW4
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 401n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71586
PNG
(4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H30BrN3O3S/c1-20(2)30(19-22-6-4-3-5-7-22)17-16-28-26(31)23-10-8-21(9-11-23)18-29-34(32,33)25-14-12-24(27)13-15-25/h3-15,20,29H,16-19H2,1-2H3,(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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71577
PNG
(KSC-11-32-1 | KUC104157N | N-[2-[benzyl(butan-2-yl...)
Show SMILES CCC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(CC)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C29H37N3O3S/c1-4-23(3)32(22-26-9-7-6-8-10-26)20-19-30-29(33)27-15-11-25(12-16-27)21-31-36(34,35)28-17-13-24(5-2)14-18-28/h6-18,23,31H,4-5,19-22H2,1-3H3,(H,30,33)
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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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71574
PNG
(KSC-5-271C | KUC104154N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)C
Show InChI InChI=1S/C28H34BrN3O3S/c1-4-22-9-15-27(16-10-22)36(34,35)31-19-23-5-11-25(12-6-23)28(33)30-17-18-32(21(2)3)20-24-7-13-26(29)14-8-24/h5-16,21,31H,4,17-20H2,1-3H3,(H,30,33)
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n/an/a 523n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71589
PNG
(KSC-11-40-1 | KUC104170N | N-[2-[(4-methoxyphenyl)...)
Show SMILES COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1
Show InChI InChI=1S/C28H35N3O4S/c1-21(2)31(20-24-9-13-26(35-4)14-10-24)18-17-29-28(32)25-11-7-23(8-12-25)19-30-36(33,34)27-15-5-22(3)6-16-27/h5-16,21,30H,17-20H2,1-4H3,(H,29,32)
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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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71581
PNG
(KSC-5-280C | KUC104162N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C27H32BrN3O3S/c1-20(2)31(19-23-8-12-25(28)13-9-23)17-16-29-27(32)24-10-6-22(7-11-24)18-30-35(33,34)26-14-4-21(3)5-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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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/Q27P8WW4
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 670n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71571
PNG
(KSC-5-267C | KUC104151N | N-[2-[(4-methylphenyl)me...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1)Cc1ccc(C)cc1
Show InChI InChI=1S/C28H35N3O3S/c1-21(2)31(20-25-10-8-22(3)9-11-25)17-16-29-28(32)26-14-12-24(13-15-26)19-30-35(33,34)27-7-5-6-23(4)18-27/h5-15,18,21,30H,16-17,19-20H2,1-4H3,(H,29,32)
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n/an/a 675n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71578
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[met...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C)[C@@H](C)c1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-4-22-12-16-26(17-13-22)34(32,33)29-20-23-10-14-25(15-11-23)27(31)28-18-19-30(3)21(2)24-8-6-5-7-9-24/h5-17,21,29H,4,18-20H2,1-3H3,(H,28,31)/t21-/m0/s1
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n/an/a 749n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71615
PNG
(KSC-1-268 | KUC104543N | cid_44828480)
Show SMILES Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71583
PNG
(4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[2-[(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C27H33N3O4S/c1-21(2)30(20-23-7-5-4-6-8-23)18-17-28-27(31)24-11-9-22(10-12-24)19-29-35(32,33)26-15-13-25(34-3)14-16-26/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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71570
PNG
(4-[[(3-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-9-5-4-6-10-24)17-16-28-27(31)25-14-12-23(13-15-25)19-29-34(32,33)26-11-7-8-22(3)18-26/h4-15,18,21,29H,16-17,19-20H2,1-3H3,(H,28,31)
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n/an/a 872n/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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71600
PNG
(KSC-1-183 | KUC104214N | cid_22553447)
Show SMILES O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H31N5O2/c33-25(20-32-26-23(9-4-13-29-26)31-16-5-10-24(31)27(32)34)28-14-6-15-30-17-11-22(12-18-30)19-21-7-2-1-3-8-21/h1-5,7-10,13,16,22H,6,11-12,14-15,17-20H2,(H,28,33)
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n/an/a 1.31E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71585
PNG
(KSC-5-281C | KUC104166N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)C
Show InChI InChI=1S/C27H32BrN3O4S/c1-20(2)31(19-22-6-10-24(28)11-7-22)17-16-29-27(32)23-8-4-21(5-9-23)18-30-36(33,34)26-14-12-25(35-3)13-15-26/h4-15,20,30H,16-19H2,1-3H3,(H,29,32)
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n/an/a 1.38E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71576
PNG
(KSC-11-31-1 | KUC104156N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(CC)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-3-22-12-16-26(17-13-22)34(32,33)29-20-23-10-14-25(15-11-23)27(31)28-18-19-30(4-2)21-24-8-6-5-7-9-24/h5-17,29H,3-4,18-21H2,1-2H3,(H,28,31)
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n/an/a 1.99E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71588
PNG
(KSC-5-282C | KUC104169N | N-[2-[(4-bromobenzyl)-is...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C26H29Br2N3O3S/c1-19(2)31(18-21-5-9-23(27)10-6-21)16-15-29-26(32)22-7-3-20(4-8-22)17-30-35(33,34)25-13-11-24(28)12-14-25/h3-14,19,30H,15-18H2,1-2H3,(H,29,32)
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n/an/a 2.03E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 2.93E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71594
PNG
(4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[2-[eth...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C25H28BrN3O3S/c1-2-29(19-21-6-4-3-5-7-21)17-16-27-25(30)22-10-8-20(9-11-22)18-28-33(31,32)24-14-12-23(26)13-15-24/h3-15,28H,2,16-19H2,1H3,(H,27,30)
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n/an/a 4.82E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71592
PNG
(4-[(brosylamino)methyl]-N-[2-(dibenzylamino)ethyl]...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H30BrN3O3S/c31-28-15-17-29(18-16-28)38(36,37)33-21-24-11-13-27(14-12-24)30(35)32-19-20-34(22-25-7-3-1-4-8-25)23-26-9-5-2-6-10-26/h1-18,33H,19-23H2,(H,32,35)
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n/an/a 6.08E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71568
PNG
(KSC-11-24-1 | KUC104148N | N-[2-(dibenzylamino)eth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O3S/c1-25-12-18-30(19-13-25)38(36,37)33-22-26-14-16-29(17-15-26)31(35)32-20-21-34(23-27-8-4-2-5-9-27)24-28-10-6-3-7-11-28/h2-19,33H,20-24H2,1H3,(H,32,35)
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n/an/a 7.47E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71593
PNG
(KSC-11-44-1 | KUC104174N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O4S/c1-3-29(20-22-7-5-4-6-8-22)18-17-27-26(30)23-11-9-21(10-12-23)19-28-34(31,32)25-15-13-24(33-2)14-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 1.08E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71601
PNG
(KSC-1-184 | KUC104215N | cid_22553448)
Show SMILES O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H30N6O2/c33-24(20-32-25-22(9-4-11-28-25)31-14-5-10-23(31)26(32)34)27-12-6-13-29-15-17-30(18-16-29)19-21-7-2-1-3-8-21/h1-5,7-11,14H,6,12-13,15-20H2,(H,27,33)
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n/an/a 1.10E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71614
PNG
(KSC-1-267 | KUC104542N | cid_44828477)
Show SMILES O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H28N6O2/c32-23(19-31-24-21(9-4-11-27-24)30-14-5-10-22(30)25(31)33)26-12-6-13-28-15-17-29(18-16-28)20-7-2-1-3-8-20/h1-5,7-11,14H,6,12-13,15-19H2,(H,26,32)
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n/an/a 1.27E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71591
PNG
(KSC-11-42-1 | KUC104172N | N-[2-(dibenzylamino)eth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-38-29-16-18-30(19-17-29)39(36,37)33-22-25-12-14-28(15-13-25)31(35)32-20-21-34(23-26-8-4-2-5-9-26)24-27-10-6-3-7-11-27/h2-19,33H,20-24H2,1H3,(H,32,35)
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n/an/a 1.31E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71596
PNG
(2-(7-fluoranyl-4-oxidanylidene-pyrrolo[1,2-a]quino...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3cc(F)ccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H27F2N5O2/c27-19-4-7-21(8-5-19)31-15-13-30(14-16-31)11-2-10-29-25(34)18-33-24-17-20(28)6-9-22(24)32-12-1-3-23(32)26(33)35/h1,3-9,12,17H,2,10-11,13-16,18H2,(H,29,34)
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n/an/a 1.46E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71572
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-(2-isoi...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
Show InChI InChI=1S/C26H29N3O3S/c1-2-20-9-13-25(14-10-20)33(31,32)28-17-21-7-11-22(12-8-21)26(30)27-15-16-29-18-23-5-3-4-6-24(23)19-29/h3-14,28H,2,15-19H2,1H3,(H,27,30)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71569
PNG
(KSC-5-267A | KUC104149N | N-(2-isoindolin-2-ylethy...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
Show InChI InChI=1S/C25H27N3O3S/c1-19-5-4-8-24(15-19)32(30,31)27-16-20-9-11-21(12-10-20)25(29)26-13-14-28-17-22-6-2-3-7-23(22)18-28/h2-12,15,27H,13-14,16-18H2,1H3,(H,26,29)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71595
PNG
(2-(4-oxidanylidenepyrrolo[1,2-a]quinoxalin-5-yl)-N...)
Show SMILES O=C(Cn1c2ccccc2n2cccc2c1=O)NCCCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H31N5O2/c33-26(21-32-24-11-5-4-10-23(24)31-15-6-12-25(31)27(32)34)28-13-7-14-29-16-18-30(19-17-29)20-22-8-2-1-3-9-22/h1-6,8-12,15H,7,13-14,16-21H2,(H,28,33)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71587
PNG
(4-[(brosylamino)methyl]-N-(2-isoindolin-2-ylethyl)...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
Show InChI InChI=1S/C24H24BrN3O3S/c25-22-9-11-23(12-10-22)32(30,31)27-15-18-5-7-19(8-6-18)24(29)26-13-14-28-16-20-3-1-2-4-21(20)17-28/h1-12,27H,13-17H2,(H,26,29)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71602
PNG
(KSC-1-185 | KUC104216N | cid_22553452)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C25H27ClN6O2/c1-18-6-7-19(26)16-22(18)30-14-12-29(13-15-30)11-9-27-23(33)17-32-24-20(4-2-8-28-24)31-10-3-5-21(31)25(32)34/h2-8,10,16H,9,11-15,17H2,1H3,(H,27,33)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71599
PNG
(KSC-1-181 | KUC104212N | cid_22553433)
Show SMILES O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCCCC1
Show InChI InChI=1S/C20H25N5O2/c26-18(21-10-6-13-23-11-2-1-3-12-23)15-25-19-16(7-4-9-22-19)24-14-5-8-17(24)20(25)27/h4-5,7-9,14H,1-3,6,10-13,15H2,(H,21,26)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71579
PNG
(KSC-11-34-1 | KUC104159N | N-[2-(dibenzylamino)eth...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C32H35N3O3S/c1-2-26-15-19-31(20-16-26)39(37,38)34-23-27-13-17-30(18-14-27)32(36)33-21-22-35(24-28-9-5-3-6-10-28)25-29-11-7-4-8-12-29/h3-20,34H,2,21-25H2,1H3,(H,33,36)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71580
PNG
(KSC-5-280B | KUC104161N | N-(2-isoindolin-2-ylethy...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
Show InChI InChI=1S/C25H27N3O3S/c1-19-6-12-24(13-7-19)32(30,31)27-16-20-8-10-21(11-9-20)25(29)26-14-15-28-17-22-4-2-3-5-23(22)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71598
PNG
(KSC-1-180 | KUC104211N | cid_22553432)
Show SMILES CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C20H26N6O2/c1-23-11-13-24(14-12-23)9-4-8-21-18(27)15-26-19-16(5-2-7-22-19)25-10-3-6-17(25)20(26)28/h2-3,5-7,10H,4,8-9,11-15H2,1H3,(H,21,27)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71603
PNG
(KSC-1-186 | KUC104217N | cid_22553453)
Show SMILES Cc1cccc(N2CCN(CCNC(=O)Cn3c4ncccc4n4cccc4c3=O)CC2)c1C
Show InChI InChI=1S/C26H30N6O2/c1-19-6-3-7-21(20(19)2)30-16-14-29(15-17-30)13-11-27-24(33)18-32-25-22(8-4-10-28-25)31-12-5-9-23(31)26(32)34/h3-10,12H,11,13-18H2,1-2H3,(H,27,33)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71575
PNG
(KSC-11-30-1 | KUC104155N | N-[2-(dibenzylamino)eth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O3S/c1-25-9-8-14-30(21-25)38(36,37)33-22-26-15-17-29(18-16-26)31(35)32-19-20-34(23-27-10-4-2-5-11-27)24-28-12-6-3-7-13-28/h2-18,21,33H,19-20,22-24H2,1H3,(H,32,35)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71597
PNG
(KSC-1-179 | KUC104210N | cid_22553408)
Show SMILES O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCOCC1
Show InChI InChI=1S/C19H23N5O3/c25-17(20-7-3-8-22-10-12-27-13-11-22)14-24-18-15(4-1-6-21-18)23-9-2-5-16(23)19(24)26/h1-2,4-6,9H,3,7-8,10-14H2,(H,20,25)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM71584
PNG
(KSC-5-281B | KUC104165N | N-(2-isoindolin-2-ylethy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
Show InChI InChI=1S/C25H27N3O4S/c1-32-23-10-12-24(13-11-23)33(30,31)27-16-19-6-8-20(9-7-19)25(29)26-14-15-28-17-21-4-2-3-5-22(21)18-28/h2-13,27H,14-18H2,1H3,(H,26,29)
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n/an/a>3.20E+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/Q27P8WW4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%