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

Found 123 hits with Last Name = 'fisher' and Initial = 'aj'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.770n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418943
PNG
(CHEMBL1807821)
Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418942
PNG
(CHEMBL1807822)
Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418944
PNG
(CHEMBL1807819)
Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418945
PNG
(CHEMBL1807818)
Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418946
PNG
(CHEMBL1807817)
Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418958
PNG
(CHEMBL1807820)
Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat CB1 receptor


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218121
PNG
(CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...)
Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418948
PNG
(CHEMBL1807870)
Show SMILES O[C@@H](CNCCCSCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-11-13-30-12-3-9-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218123
PNG
(CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...)
Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418939
PNG
(CHEMBL1807873)
Show SMILES O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H27Cl2N3O4S/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418957
PNG
(CHEMBL1807824)
Show SMILES CCc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1S/C24H33N3O3S2/c1-2-17-4-6-18(7-5-17)10-12-25-11-3-14-31-15-13-26-16-21(29)19-8-9-20(28)22-23(19)32-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418938
PNG
(CHEMBL1807872)
Show SMILES O[C@@H](CNCCCOCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O4S/c23-16-4-1-3-15(13-16)7-9-24-10-12-30-11-2-8-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418952
PNG
(CHEMBL1807829)
Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-8-2-11-31-12-10-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418937
PNG
(CHEMBL1807871)
Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218123
PNG
(CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...)
Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218120
PNG
(CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...)
Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418950
PNG
(CHEMBL1807832)
Show SMILES O[C@@H](CNCCOCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O4S/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418956
PNG
(CHEMBL1807826)
Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C23H28F3N3O3S2/c24-23(25,26)16-4-1-3-15(13-16)7-9-27-8-2-11-33-12-10-28-14-19(31)17-5-6-18(30)20-21(17)34-22(32)29-20/h1,3-6,13,19,27-28,30-31H,2,7-12,14H2,(H,29,32)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50128690
PNG
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12
Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218121
PNG
(CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...)
Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418940
PNG
(CHEMBL1807825)
Show SMILES CCOc1ccc(CCNCCCSCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r|
Show InChI InChI=1S/C24H33N3O4S2/c1-2-31-18-6-4-17(5-7-18)10-12-25-11-3-14-32-15-13-26-16-21(29)19-8-9-20(28)22-23(19)33-24(30)27-22/h4-9,21,25-26,28-29H,2-3,10-16H2,1H3,(H,27,30)/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418953
PNG
(CHEMBL1807828)
Show SMILES O[C@@H](CNCCSCCCNCCc1ccccc1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O3S2/c23-17-5-2-1-4-15(17)8-10-24-9-3-12-30-13-11-25-14-19(28)16-6-7-18(27)20-21(16)31-22(29)26-20/h1-2,4-7,19,24-25,27-28H,3,8-14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418949
PNG
(CHEMBL1807869)
Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-10-12-30-11-2-8-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 126n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418951
PNG
(CHEMBL1807830)
Show SMILES O[C@@H](CNCCS(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O4S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-32(30)12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-,32?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418954
PNG
(CHEMBL1807827)
Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218119
PNG
((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...)
Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418958
PNG
(CHEMBL1807820)
Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418941
PNG
(CHEMBL1807823)
Show SMILES O[C@@H](CNCCSCCCNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H29N3O3S2/c26-18-8-7-17(21-20(18)25-22(28)30-21)19(27)15-24-12-14-29-13-4-10-23-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23-24,26-27H,4,9-15H2,(H,25,28)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218120
PNG
(CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...)
Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318159
PNG
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)
Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418947
PNG
(CHEMBL1807874)
Show SMILES CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 |r|
Show InChI InChI=1S/C23H31N3O4S/c1-26(12-10-17-6-3-2-4-7-17)13-15-30-14-5-11-24-16-20(28)18-8-9-19(27)21-22(18)31-23(29)25-21/h2-4,6-9,20,24,27-28H,5,10-16H2,1H3,(H,25,29)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418952
PNG
(CHEMBL1807829)
Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-8-2-11-31-12-10-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418956
PNG
(CHEMBL1807826)
Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(c1)C(F)(F)F)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C23H28F3N3O3S2/c24-23(25,26)16-4-1-3-15(13-16)7-9-27-8-2-11-33-12-10-28-14-19(31)17-5-6-18(30)20-21(17)34-22(32)29-20/h1,3-6,13,19,27-28,30-31H,2,7-12,14H2,(H,29,32)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418944
PNG
(CHEMBL1807819)
Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM86453
PNG
(CAS_73573-87-2 | Formoterol | NSC_3083544)
Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a<631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218119
PNG
((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...)
Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418955
PNG
(CHEMBL1807831)
Show SMILES O[C@@H](CNCCS(=O)(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O5S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-33(30,31)12-10-25-14-19(28)17-5-6-18(27)20-21(17)32-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418943
PNG
(CHEMBL1807821)
Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50418955
PNG
(CHEMBL1807831)
Show SMILES O[C@@H](CNCCS(=O)(=O)CCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O5S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-33(30,31)12-10-25-14-19(28)17-5-6-18(27)20-21(17)32-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418954
PNG
(CHEMBL1807827)
Show SMILES O[C@@H](CNCCSCCCNCCc1cccc(Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H28ClN3O3S2/c23-16-4-1-3-15(13-16)7-9-24-8-2-11-30-12-10-25-14-19(28)17-5-6-18(27)20-21(17)31-22(29)26-20/h1,3-6,13,19,24-25,27-28H,2,7-12,14H2,(H,26,29)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218122
PNG
(CHEMBL244607 | naphthalen-1-yl-(4-phenethyloxynaph...)
Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H22O2/c30-29(26-16-8-12-22-11-4-5-13-23(22)26)27-17-18-28(25-15-7-6-14-24(25)27)31-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
BindingDB Entry DOI: 10.7270/Q2K64JWR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50418937
PNG
(CHEMBL1807871)
Show SMILES O[C@@H](CNCCCSCCNCCc1cccc(Cl)c1Cl)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C22H27Cl2N3O3S2/c23-16-4-1-3-14(19(16)24)7-9-25-10-12-31-11-2-8-26-13-18(29)15-5-6-17(28)20-21(15)32-22(30)27-20/h1,3-6,18,25-26,28-29H,2,7-13H2,(H,27,30)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor


Bioorg Med Chem Lett 21: 4612-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 123 total )  |  Next  |  Last  >>
Jump to: