BindingDB logo
myBDB logout

PubChem AID 2136

Compile data set for download or QSAR
Found 65 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))
BDBM54809
PNG
((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
Show InChI InChI=1S/C36H35N9O6/c1-51-36(50)33(18-26-19-38-29-5-3-2-4-28(26)29)45-21-31(40-42-45)24-15-23(16-25(17-24)34(47)43-12-10-37-11-13-43)30-20-44(41-39-30)32(35(48)49)14-22-6-8-27(46)9-7-22/h2-9,15-17,19-21,32-33,37-38,46H,10-14,18H2,1H3,(H,48,49)/t32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 516n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54795
PNG
((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 616n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 630n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 818n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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 Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(C)cc2)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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 824n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.12E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54796
PNG
(MLS000028833 | PYR-HIS-TRP-SER-TYR-D-HIS(BZL)-LEU-...)
Show SMILES CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn(Cc2ccccc2)cn1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1
Show InChI InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.12E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.32E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54821
PNG
(3-bromanyl-N-[(2S)-1-[(3R,6R)-6-[(4-hydroxyphenyl)...)
Show SMILES C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1
Show InChI InChI=1S/C30H33BrN4O2/c1-20-8-11-24(16-28(20)31)29(37)33-21(2)18-34-26(15-23-9-12-27(36)13-10-23)19-35-25(17-32-30(34)35)14-22-6-4-3-5-7-22/h3-13,16,21,25-26,36H,14-15,17-19H2,1-2H3,(H,33,37)/t21-,25+,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.44E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.05E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54822
PNG
(3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)...)
Show SMILES COc1ccc(C[C@H]2CN3[C@H](CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-17(2)25-14-29-27-31(15-19(4)30-26(33)21-9-6-18(3)24(28)13-21)22(16-32(25)27)12-20-7-10-23(34-5)11-8-20/h6-11,13,17,19,22,25H,12,14-16H2,1-5H3,(H,30,33)/t19-,22-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.07E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.46E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54801
PNG
((4-benzoxy-3-chloro-5-ethoxy-benzyl)-cyclopentyl-a...)
Show SMILES CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
Show InChI InChI=1S/C21H26ClNO2/c1-2-24-20-13-17(14-23-18-10-6-7-11-18)12-19(22)21(20)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,23H,2,6-7,10-11,14-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.57E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM43416
PNG
(MLS000375336 | N-[1-(1-adamantyl)ethyl]-2-(4,5-dic...)
Show SMILES CC(NC(=O)Cn1ncc(Cl)c(Cl)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H23Cl2N3O2/c1-10(18-5-11-2-12(6-18)4-13(3-11)7-18)22-15(24)9-23-17(25)16(20)14(19)8-21-23/h8,10-13H,2-7,9H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.63E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54823
PNG
(4,5-bis(chloranyl)-2-[2-(2,3-dihydroindol-1-yl)-2-...)
Show SMILES Clc1cnn(CC(=O)N2CCc3ccccc23)c(=O)c1Cl
Show InChI InChI=1S/C14H11Cl2N3O2/c15-10-7-17-19(14(21)13(10)16)8-12(20)18-6-5-9-3-1-2-4-11(9)18/h1-4,7H,5-6,8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.85E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54828
PNG
(3-(methylsulfonyl)-4-oxo-6-phenyl-4,5,6,7-tetrahyd...)
Show SMILES CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
Show InChI InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.24E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54811
PNG
(7-chloranyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin...)
Show SMILES Clc1ncnc2n(-c3ccccc3)c(=S)sc12
Show InChI InChI=1S/C11H6ClN3S2/c12-9-8-10(14-6-13-9)15(11(16)17-8)7-4-2-1-3-5-7/h1-6H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.55E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54830
PNG
(4-Fluoro-N-[9-(4-methyl-benzyl)-9-aza-bicyclo[3.3....)
Show SMILES Cc1ccc(CN2C3CCCC2CC(C3)NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H27FN2O/c1-16-5-7-17(8-6-16)15-26-21-3-2-4-22(26)14-20(13-21)25-23(27)18-9-11-19(24)12-10-18/h5-12,20-22H,2-4,13-15H2,1H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.70E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.86E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54819
PNG
(1-(4-tert-butylphenyl)-4-chloranyl-6-oxidanylidene...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
Show InChI InChI=1S/C15H14ClN3O/c1-15(2,3)10-4-6-11(7-5-10)19-14(20)8-12(16)13(9-17)18-19/h4-8H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54802
PNG
(2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(4-morpho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C25H27N3O7S2/c1-34-22-9-13-24(14-10-22)37(32,33)28(21-5-3-2-4-6-21)19-25(29)26-20-7-11-23(12-8-20)36(30,31)27-15-17-35-18-16-27/h2-14H,15-19H2,1H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.04E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54806
PNG
((2E)-3-{1-[3-(dipropylamino)-2-hydroxypropyl]-1H-i...)
Show SMILES CCCN(CCC)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
Show InChI InChI=1S/C24H30N2O2S/c1-3-13-25(14-4-2)17-20(27)18-26-16-19(21-8-5-6-9-22(21)26)11-12-23(28)24-10-7-15-29-24/h5-12,15-16,20,27H,3-4,13-14,17-18H2,1-2H3/b12-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.14E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54838
PNG
(5-chloranyl-2-ethylsulfonyl-N-[4-[methyl(phenyl)su...)
Show SMILES CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
Show InChI InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.20E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54793
PNG
(MLS000046755 | N-[3-(N-butylanilino)propyl]-1-(4-m...)
Show SMILES CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C23H38N4O4S/c1-2-3-13-25(22-8-5-4-6-9-22)14-7-12-24-23(28)21-10-15-26(16-11-21)32(29,30)27-17-19-31-20-18-27/h4-6,8-9,21H,2-3,7,10-20H2,1H3,(H,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.56E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM41591
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1
Show InChI InChI=1S/C17H16Cl2N2O3S/c1-11-3-5-12(6-4-11)10-25(23)16(19)15(18)17(22)21-13-7-8-14(24-2)20-9-13/h3-9H,10H2,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.71E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54825
PNG
(MLS000776291 | N-(4-chloranyl-3-ethyl-5-methanoyl-...)
Show SMILES CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H11ClN2O3S2/c1-2-15-11(13)10(8-16)19-12(15)14-20(17,18)9-6-4-3-5-7-9/h3-8H,2H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.85E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54841
PNG
(3-[[3-(6-keto-1H-pyridazin-4-yl)benzoyl]amino]-4-m...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c(=O)c3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C30H23F3N6O3/c1-17-6-7-21(9-26(17)37-29(42)20-5-3-4-19(8-20)22-10-27(40)38-35-14-22)28(41)36-24-11-23(30(31,32)33)12-25(13-24)39-15-18(2)34-16-39/h3-16H,1-2H3,(H,36,41)(H,37,42)(H,38,40)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.10E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54797
PNG
(2-chloranyl-N-[2,2,2-tris(chloranyl)-1-[(4-methoxy...)
Show SMILES COc1ccc(NC(=S)NC(NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H14Cl4N4O4S/c1-29-9-6-7-12(13(8-9)25(27)28)22-16(30)24-15(17(19,20)21)23-14(26)10-4-2-3-5-11(10)18/h2-8,15H,1H3,(H,23,26)(H2,22,24,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.12E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54837
PNG
(2-(1,2-dimethyl-3-indolyl)-N-[3-[4-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)N1CCN(CCCNC(=O)C(=O)c2c(C)n(C)c3ccccc23)CC1
Show InChI InChI=1S/C26H32N4O3/c1-19-24(22-7-4-5-8-23(22)28(19)2)25(31)26(32)27-13-6-14-29-15-17-30(18-16-29)20-9-11-21(33-3)12-10-20/h4-5,7-12H,6,13-18H2,1-3H3,(H,27,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.16E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM47164
PNG
((4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobe...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
Show InChI InChI=1S/C12H7Br2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.83E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54815
PNG
(1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]qu...)
Show SMILES Nc1c2CCCCc2nc2sc3CCCCc3c12
Show InChI InChI=1S/C15H18N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h1-8H2,(H2,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 6.99E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54839
PNG
(2-benzylsulfonyl-5-chloro-N-(4-ethylphenyl)pyrimid...)
Show SMILES CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.28E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM41593
PNG
((Z)-2,3-bis(chloranyl)-N-(6-methoxypyridin-3-yl)-3...)
Show SMILES COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1
Show InChI InChI=1S/C16H14Cl2N2O3S/c1-23-13-8-7-12(9-19-13)20-16(21)14(17)15(18)24(22)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.62E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM43463
PNG
((Z)-2,3-bis(chloranyl)-3-[(4-methoxyphenyl)methyls...)
Show SMILES COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1
Show InChI InChI=1S/C17H16Cl2N2O4S/c1-24-13-6-3-11(4-7-13)10-26(23)16(19)15(18)17(22)21-12-5-8-14(25-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.26E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54812
PNG
((E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-...)
Show SMILES COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1
Show InChI InChI=1S/C26H30N2O5/c1-33-21-12-13-22(24(30)16-21)23(29)14-15-26(32)28(17-19-8-4-2-5-9-19)18-25(31)27-20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20,30H,3,6-7,10-11,17-18H2,1H3,(H,27,31)/b15-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.34E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54818
PNG
((7-chloro-4-nitro-benzofurazan-5-yl)-methyl-amine ...)
Show SMILES CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C7H5ClN4O3/c1-9-4-2-3(8)5-6(11-15-10-5)7(4)12(13)14/h2,9H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.48E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54808
PNG
(2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(4-ace...)
Show SMILES CC(OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C25H20ClN3O7/c1-14(24(32)28-18-10-8-17(9-11-18)27-15(2)30)36-25(33)20-6-4-3-5-19(20)23(31)16-7-12-21(26)22(13-16)29(34)35/h3-14H,1-2H3,(H,27,30)(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.71E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54827
PNG
(Bis(helenalinyl) malonate | MLS000728515 | SMR0004...)
Show SMILES C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O
Show InChI InChI=1S/C33H36O10/c1-14-11-20-26(16(3)30(38)40-20)28(32(5)18(14)7-9-22(32)34)42-24(36)13-25(37)43-29-27-17(4)31(39)41-21(27)12-15(2)19-8-10-23(35)33(19,29)6/h7-10,14-15,18-21,26-29H,3-4,11-13H2,1-2,5-6H3/t14-,15-,18+,19+,20-,21-,26-,27-,28+,29+,32+,33+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.14E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54826
PNG
(MLS000728493 | Neokadsuranin | SMR000445700 | cid_...)
Show SMILES COc1cc2C3OC([C@H](C)[C@@H]3C)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Show InChI InChI=1S/C23H26O7/c1-10-11(2)19-13-8-15-21(29-9-28-15)23(27-6)17(13)16-12(18(10)30-19)7-14(24-3)20(25-4)22(16)26-5/h7-8,10-11,18-19H,9H2,1-6H3/t10-,11+,18?,19?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.42E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54794
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-N-{3...)
Show SMILES CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N1CCC2(CC1)OCCO2)c1ccccc1
Show InChI InChI=1S/C24H38N4O5S/c1-2-26(22-7-4-3-5-8-22)14-6-13-25-23(29)21-9-15-27(16-10-21)34(30,31)28-17-11-24(12-18-28)32-19-20-33-24/h3-5,7-8,21H,2,6,9-20H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.69E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54829
PNG
(2-(7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-ylamin...)
Show SMILES [O-]c1ccccc1Nc1cc(Cl)c2[nH+]onc2c1[N+]([O-])=O
Show InChI InChI=1S/C12H7ClN4O4/c13-6-5-8(14-7-3-1-2-4-9(7)18)12(17(19)20)11-10(6)15-21-16-11/h1-5,14,18H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.15E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54824
PNG
(2-(4,5-dichloro-6-keto-pyridazin-1-yl)-N-(5-methox...)
Show SMILES COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
Show InChI InChI=1S/C14H12Cl2N4O5/c1-7-3-10(20(23)24)11(25-2)4-9(7)18-12(21)6-19-14(22)13(16)8(15)5-17-19/h3-5H,6H2,1-2H3,(H,18,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54820
PNG
(4-chloranyl-1-(4-methoxyphenyl)-6-oxidanylidene-py...)
Show SMILES COc1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
Show InChI InChI=1S/C12H8ClN3O2/c1-18-9-4-2-8(3-5-9)16-12(17)6-10(13)11(7-14)15-16/h2-6H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.40E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54835
PNG
(MLS001175898 | N-[2-(2-chlorophenyl)-2-(diethylami...)
Show SMILES CCN(CC)C(CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C22H24ClN3O2/c1-3-26(4-2)20(16-10-5-7-11-18(16)23)14-24-22(28)17-13-21(27)25-19-12-8-6-9-15(17)19/h5-13,20H,3-4,14H2,1-2H3,(H,24,28)(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
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 CCOc1ccc(cc1)C(=O)NC1CC2CCCC(C1)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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.48E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54804
PNG
(2-[1-[(Z)-1-(4-bromobenzoyl)-2-(2-furyl)vinyl]-2-p...)
Show SMILES Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N
Show InChI InChI=1S/C21H12BrN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.54E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54810
PNG
((E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydr...)
Show SMILES COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
Show InChI InChI=1S/C22H30N2O6/c1-29-13-12-24(15-21(27)23-16-6-4-3-5-7-16)22(28)11-10-19(25)18-9-8-17(30-2)14-20(18)26/h8-11,14,16,26H,3-7,12-13,15H2,1-2H3,(H,23,27)/b11-10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.61E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM43263
PNG
(1-(4-nitrophenyl)-3-phenyl-2-propyn-1-one | 1-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C15H9NO3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-5,7-10H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.63E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM42532
PNG
(2-[1-[(Z)-1-(4-chlorobenzoyl)-2-(2-furyl)vinyl]-2-...)
Show SMILES Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N
Show InChI InChI=1S/C21H12ClN3O2/c22-17-8-6-15(7-9-17)21(26)20(12-18-4-3-11-27-18)25-10-2-1-5-19(25)16(13-23)14-24/h1-12H/b20-12-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.65E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM33163
PNG
(MLS000677960 | SMR000285999 | acetic acid;2-methyl...)
Show SMILES Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=C1C=CC(=O)C=C1
Show InChI InChI=1S/C19H13N3O2S/c1-12-20-18-17(16(11-25-18)13-5-3-2-4-6-13)19(24)22(12)21-14-7-9-15(23)10-8-14/h2-11H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.65E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM33108
PNG
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Show SMILES CC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O5S/c1-9(24)27-7-6-18-12-8-13(14-15(22-28-21-14)16(12)23(25)26)29-17-19-10-4-2-3-5-11(10)20-17/h2-5,8,18H,6-7H2,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.71E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54800
PNG
(2-[1-[(E)-1-(2-furanyl)-3-(4-methoxyphenyl)-3-oxop...)
Show SMILES COc1ccc(cc1)C(=O)C(=C/c1ccco1)\N1C=CC=CC1=C(C#N)C#N
Show InChI InChI=1S/C22H15N3O3/c1-27-18-9-7-16(8-10-18)22(26)21(13-19-5-4-12-28-19)25-11-3-2-6-20(25)17(14-23)15-24/h2-13H,1H3/b21-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.80E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54799
PNG
(2-(2,3,4,5,6-pentafluorophenyl)-1-benzopyran-4-one...)
Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H5F5O2/c16-11-10(12(17)14(19)15(20)13(11)18)9-5-7(21)6-3-1-2-4-8(6)22-9/h1-5H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.81E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54798
PNG
((5Z)-2-azanylidene-5-[(2-methyl-1H-indol-3-yl)meth...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
Show InChI InChI=1S/C16H12N4OS2/c1-9-11(10-4-2-3-5-12(10)19-9)8-13-14(21)20(15(17)23-13)16-18-6-7-22-16/h2-8,17,19H,1H3/b13-8-,17-15?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.81E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM53797
PNG
(2-[1-[(Z)-1-(2-furanyl)-3-oxo-3-phenylprop-1-en-2-...)
Show SMILES O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1
Show InChI InChI=1S/C21H13N3O2/c22-14-17(15-23)19-10-4-5-11-24(19)20(13-18-9-6-12-26-18)21(25)16-7-2-1-3-8-16/h1-13H/b20-13-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.89E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM33121
PNG
(2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3...)
Show SMILES CCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H16N6O5S/c1-2-14(25)28-8-7-19-12-9-13(15-16(23-29-22-15)17(12)24(26)27)30-18-20-10-5-3-4-6-11(10)21-18/h3-6,9,19H,2,7-8H2,1H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.91E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54832
PNG
(3-methyl-N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]no...)
Show SMILES Cc1cccc(c1)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-17-7-5-10-19(13-17)23(26)24-20-14-21-11-6-12-22(15-20)25(21)16-18-8-3-2-4-9-18/h2-5,7-10,13,20-22H,6,11-12,14-16H2,1H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.99E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54831
PNG
(2-Ethoxy-N-[9-(4-methyl-benzyl)-9-aza-bicyclo[3.3....)
Show SMILES CCOc1ccccc1C(=O)NC1CC2CCCC(C1)N2Cc1ccc(C)cc1
Show InChI InChI=1S/C25H32N2O2/c1-3-29-24-10-5-4-9-23(24)25(28)26-20-15-21-7-6-8-22(16-20)27(21)17-19-13-11-18(2)12-14-19/h4-5,9-14,20-22H,3,6-8,15-17H2,1-2H3,(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.17E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM33119
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C15H16N6O5S/c1-3-11(22)25-7-5-16-9-8-10(27-15-17-4-6-20(15)2)12-13(19-26-18-12)14(9)21(23)24/h4,6,8,16H,3,5,7H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.27E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54813
PNG
(5-(2,5-dioxo-1-pyrrolyl)-N-(4-methylphenyl)-2-(4-m...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1
Show InChI InChI=1S/C22H21N3O4/c1-15-2-4-16(5-3-15)23-22(28)18-14-17(25-20(26)8-9-21(25)27)6-7-19(18)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.37E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM48094
PNG
((5Z)-3-ethyl-5-[(2E)-2-[3-(2-hydroxyethyl)-1,3-ben...)
Show SMILES CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
Show InChI InChI=1S/C16H16N2O2S3/c1-2-17-15(20)13(23-16(17)21)7-8-14-18(9-10-19)11-5-3-4-6-12(11)22-14/h3-8,19H,2,9-10H2,1H3/b13-7-,14-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.76E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54840
PNG
(2-chloranyl-6-nitro-4-phenyl-quinazoline | 2-chlor...)
Show SMILES [O-][N+](=O)c1ccc2nc(Cl)nc(-c3ccccc3)c2c1
Show InChI InChI=1S/C14H8ClN3O2/c15-14-16-12-7-6-10(18(19)20)8-11(12)13(17-14)9-4-2-1-3-5-9/h1-8H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.79E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54814
PNG
(4-[(7-chloranyl-4-nitro-2,1,3-benzoxadiazol-5-yl)a...)
Show SMILES Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C17H13ClN6O4/c1-9-13(17(25)23(22(9)2)10-6-4-3-5-7-10)19-12-8-11(18)14-15(21-28-20-14)16(12)24(26)27/h3-8,19H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.00E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM33120
PNG
(2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,...)
Show SMILES CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H18N6O5S/c1-3-4-12(23)26-8-6-17-10-9-11(28-16-18-5-7-21(16)2)13-14(20-27-19-13)15(10)22(24)25/h5,7,9,17H,3-4,6,8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.05E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54834
PNG
((3-asaryl-1-methyl-propyl)-(3,3-diphenylpropyl)ami...)
Show SMILES COc1cc(OC)c(OC)cc1CCC(C)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H35NO3/c1-21(15-16-24-19-27(31-3)28(32-4)20-26(24)30-2)29-18-17-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-14,19-21,25,29H,15-18H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (2009)


BindingDB Entry DOI: 10.7270/Q2765CR5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%