new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'schoenen' and Initial = 'fj'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029954
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
33n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
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

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50097703
PNG
(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
53n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029955
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
63n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029951
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50097697
PNG
(CHEMBL3590193)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
166n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged DYRK1B (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ...


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
221n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029953
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
282n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
306n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029957
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
338n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
415n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
443n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029956
PNG
(4-(3-Cyclopentyloxy-4-methoxy-benzyl)-imidazolidin...)
Show SMILES COc1ccc(CC2CNC(=O)N2)cc1OC1CCCC1
Show InChI InChI=1S/C16H22N2O3/c1-20-14-7-6-11(8-12-10-17-16(19)18-12)9-15(14)21-13-4-2-3-5-13/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
447n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
575n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029952
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
583n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Delta-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
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
1.09E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.42E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.75E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.75E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50257088
PNG
(CHEMBL4066784)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.81E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.93E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.33E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50257088
PNG
(CHEMBL4066784)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , 10 Center Drive, Bethesda, Maryland 20892-1800, United States.

Curated by ChEMBL




J Med Chem 60: 6364-6383 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00561
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097697
PNG
(CHEMBL3590193)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.19E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097697
PNG
(CHEMBL3590193)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.17E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097703
PNG
(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097703
PNG
(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50097703
PNG
(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435449
PNG
(CHEMBL2392364)
Show SMILES Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50097704
PNG
(CHEMBL3590200)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)(C)C
Show InChI InChI=1S/C37H51FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-17-41(2)33(45)26-44-25-31(35(47)40-37(44)50-28-29-13-15-32(38)16-14-29)22-30-23-39-36(48)43(24-30)27-34(46)42-18-20-49-21-19-42/h13-16,23-25H,3-12,17-22,26-28H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50097700
PNG
(CHEMBL3590196)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H36FN5O3S/c1-4-5-6-7-8-9-14-33(2)25(35)19-34-18-23(15-22-16-30-27(37-3)31-17-22)26(36)32-28(34)38-20-21-10-12-24(29)13-11-21/h10-13,16-18H,4-9,14-15,19-20H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50097701
PNG
(CHEMBL3590197)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(F)cc1)C(C)(C)C
Show InChI InChI=1S/C31H40FN5O5S/c1-4-6-7-8-9-10-15-35(3)27(38)20-37-19-25(16-24-17-33-30(41)36(18-24)21-28(39)42-5-2)29(40)34-31(37)43-22-23-11-13-26(32)14-12-23/h11-14,17-19H,4-10,15-16,20-22H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50435449
PNG
(CHEMBL2392364)
Show SMILES Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50435449
PNG
(CHEMBL2392364)
Show SMILES Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cells assessed as inhibition of U69,593-induced ERK ph...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50435449
PNG
(CHEMBL2392364)
Show SMILES Clc1cc(Cl)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50435426
PNG
(CHEMBL1877990)
Show SMILES C(Nc1nccc(n1)-c1ccc2OCOc2c1)c1cccnc1
Show InChI InChI=1S/C17H14N4O2/c1-2-12(9-18-6-1)10-20-17-19-7-5-14(21-17)13-3-4-15-16(8-13)23-11-22-15/h1-9H,10-11H2,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50435433
PNG
(CHEMBL1898197)
Show SMILES Clc1ccc(CNc2nccc(n2)-c2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-3-1-11(7-14(13)20)9-22-18-21-6-5-15(23-18)12-2-4-16-17(8-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50435436
PNG
(CHEMBL2392365)
Show SMILES Brc1cc(Br)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Br2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50097696
PNG
(CHEMBL3590192)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H34ClN3O3S/c1-21(2)32(19-23-6-10-27(30)11-7-23)17-15-31-29(34)25-8-9-26-20-33(16-14-24(26)18-25)37(35,36)28-12-4-22(3)5-13-28/h4-13,18,21H,14-17,19-20H2,1-3H3,(H,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50435441
PNG
(CHEMBL1868723)
Show SMILES FC(F)(F)c1cccc(Nc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-2-1-3-13(9-12)23-17-22-7-6-14(24-17)11-4-5-15-16(8-11)26-10-25-15/h1-9H,10H2,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50435436
PNG
(CHEMBL2392365)
Show SMILES Brc1cc(Br)cc(CNc2nccc(n2)-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C18H13Br2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 3654-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.096
BindingDB Entry DOI: 10.7270/Q2M90B2B
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 452 total )  |  Next  |  Last  >>
Jump to: