BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'mustafa' and Initial = 's'   
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.270 -50.8n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312840
PNG
(CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1
Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.270 -55.5n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26260
PNG
((2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2...)
Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r|
Show InChI InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
0.540 -49.2n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(MOUSE)
BDBM50111517
PNG
(CHEMBL3605054)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H26Cl2O2/c1-4-5-6-7-8-21(2,3)15-11-18(24)20(19(25)12-15)14-9-16(22)13-17(23)10-14/h9-13,24-25H,4-8H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 1 hr by scintillation counting analysis


Bioorg Med Chem 23: 5390-401 (2015)


Article DOI: 10.1016/j.bmc.2015.07.057
BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50167573
PNG
(4-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H37N3O4/c35-27-13-12-21-18-34-16-14-23-22-9-4-5-10-25(22)33-30(23)26(34)17-24(21)29(27)31(37)32-15-6-11-28(36)38-19-20-7-2-1-3-8-20/h1-5,7-10,21,24,26-27,29,33,35H,6,11-19H2,(H,32,37)/t21-,24?,26-,27-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50167576
PNG
((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15?,17-,18-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.880n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248606
PNG
(3',5'-dichloro-4-(2-phenylpropan-2-yl)biphenyl-2,6...)
Show SMILES CC(C)(c1ccccc1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2O2/c1-21(2,14-6-4-3-5-7-14)15-10-18(24)20(19(25)11-15)13-8-16(22)12-17(23)9-13/h3-12,24-25H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
1.07 -52.1n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50167578
PNG
(CHEMBL369938 | {3-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCNC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H38N4O4/c36-27-12-11-21-18-35-16-13-23-22-9-4-5-10-25(22)34-29(23)26(35)17-24(21)28(27)30(37)32-14-6-15-33-31(38)39-19-20-7-2-1-3-8-20/h1-5,7-10,21,24,26-28,34,36H,6,11-19H2,(H,32,37)(H,33,38)/t21-,24?,26-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242131
PNG
(CHEMBL4087158)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O2/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM181244
PNG
(US9139546, 42)
Show SMILES CC(C)(c1ccccc1)c1ccc(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18Cl2O/c1-21(2,15-6-4-3-5-7-15)16-8-9-19(20(24)12-16)14-10-17(22)13-18(23)11-14/h3-13,24H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.40 -51.4n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26262
PNG
((2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromet...)
Show SMILES C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H10F8N2O5/c1-16(29,5-32-14-12(21)10(19)9(18)11(20)13(14)22)15(28)26-6-2-3-8(27(30)31)7(4-6)17(23,24)25/h2-4,29H,5H2,1H3,(H,26,28)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
1.40 -47.0n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50167576
PNG
((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15?,17-,18-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2a adrenergic receptor


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242086
PNG
(CHEMBL4088514)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O2/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242120
PNG
(CHEMBL4059779)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H17F3N6O3/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)33-21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242116
PNG
(CHEMBL4079273)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H17FN6O2/c1-2-9-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)10-3-4-13-5-7-15(21)8-6-13/h5-8,11-12H,2,9-10H2,1H3,(H,23,24)(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248603
PNG
((3',5'-dichloro-2,6-dimethoxybiphenyl-4-yl)(phenyl...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1ccccc1
Show InChI InChI=1S/C21H18Cl2O3/c1-25-18-10-15(21(24)13-6-4-3-5-7-13)11-19(26-2)20(18)14-8-16(22)12-17(23)9-14/h3-12,21,24H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
1.66 -51.0n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26261
PNG
((2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(tr...)
Show SMILES C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
1.70 -46.5n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM181241
PNG
(US9139546, 31)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C17H10Cl2O3S/c18-11-4-9(5-12(19)8-11)16-13(20)6-10(7-14(16)21)17(22)15-2-1-3-23-15/h1-8,20-21H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.75 -50.8n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242058
PNG
(CHEMBL4070936)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation in...


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242118
PNG
(CHEMBL4105001)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O2/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM181243
PNG
(US9139546, 40)
Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(C)(C)c1ccccc1
Show InChI InChI=1S/C22H22O2/c1-15-8-7-9-16(12-15)21-19(23)13-18(14-20(21)24)22(2,3)17-10-5-4-6-11-17/h4-14,23-24H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.30 -50.1n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
2.32 -50.1n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM181246
PNG
(US9139546, 44)
Show SMILES CC(C)(c1cccs1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H16Cl2O2S/c1-19(2,17-4-3-5-24-17)12-8-15(22)18(16(23)9-12)11-6-13(20)10-14(21)7-11/h3-10,22-23H,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.33 -50.1n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26259
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...)
Show SMILES C[C@](O)(COc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F3N3O5/c1-17(26,10-29-14-6-4-13(5-7-14)24(27)28)16(25)23-12-3-2-11(9-22)15(8-12)18(19,20)21/h2-8,26H,10H2,1H3,(H,23,25)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars

MMDB
Article
PubMed
2.5 -45.6n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50111517
PNG
(CHEMBL3605054)
Show SMILES CCCCCCC(C)(C)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H26Cl2O2/c1-4-5-6-7-8-21(2,3)15-11-18(24)20(19(25)12-15)14-9-16(22)13-17(23)10-14/h9-13,24-25H,4-8H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor in rat forebrain membranes after 1 hr by scintillation counting analysis


Bioorg Med Chem 23: 5390-401 (2015)


Article DOI: 10.1016/j.bmc.2015.07.057
BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242119
PNG
(CHEMBL4081707)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C21H17F3N6O3/c1-2-8-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)9-4-6-13-5-3-7-15(10-13)33-21(22,23)24/h3,5,7,10-12H,2,8-9H2,1H3,(H,26,27)(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50167579
PNG
(CHEMBL196064 | {3-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2...)
Show SMILES CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
Show InChI InChI=1S/C28H40N4O4/c1-28(2,3)36-27(35)30-13-6-12-29-26(34)24-20-15-22-25-19(18-7-4-5-8-21(18)31-25)11-14-32(22)16-17(20)9-10-23(24)33/h4-5,7-8,17,20,22-24,31,33H,6,9-16H2,1-3H3,(H,29,34)(H,30,35)/t17-,20?,22-,23-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
2.94 -49.5n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50167580
PNG
(4-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(O)=O
Show InChI InChI=1S/C24H31N3O4/c28-20-8-7-14-13-27-11-9-16-15-4-1-2-5-18(15)26-23(16)19(27)12-17(14)22(20)24(31)25-10-3-6-21(29)30/h1-2,4-5,14,17,19-20,22,26,28H,3,6-13H2,(H,25,31)(H,29,30)/t14-,17?,19-,20-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242133
PNG
(CHEMBL4097296)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H17FN6O2/c1-2-8-27-19(28)16-18(25-20(27)29)24-17(23-16)14-11-22-26(12-14)9-4-6-13-5-3-7-15(21)10-13/h3,5,7,10-12H,2,8-9H2,1H3,(H,23,24)(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242134
PNG
(CHEMBL4075650)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(cc2)C(=O)OCC)c1
Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)20-16-27-30(17-20)15-7-8-18-9-11-19(12-10-18)25(34)36-6-3/h9-12,16-17H,4-6,13-15H2,1-3H3,(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242059
PNG
(CHEMBL4076435)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C24H23F3N6O3/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)36-24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM181245
PNG
(US9139546, 43)
Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(C)(C)c1cccs1
Show InChI InChI=1S/C20H20O2S/c1-13-6-4-7-14(10-13)19-16(21)11-15(12-17(19)22)20(2,3)18-8-5-9-23-18/h4-12,21-22H,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.70 -48.9n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242084
PNG
(CHEMBL4104876)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C#N)c1
Show InChI InChI=1S/C24H23N7O2/c1-3-10-30-22-20(23(32)31(11-4-2)24(30)33)27-21(28-22)19-15-26-29(16-19)12-6-9-17-7-5-8-18(13-17)14-25/h5,7-8,13,15-16H,3-4,10-12H2,1-2H3,(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18665
PNG
((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...)
Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
4 -44.6n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM181242
PNG
(US9139546, 39)
Show SMILES Cc1cccc(c1)-c1ccc(cc1O)C(C)(C)c1ccccc1
Show InChI InChI=1S/C22H22O/c1-16-8-7-9-17(14-16)20-13-12-19(15-21(20)23)22(2,3)18-10-5-4-6-11-18/h4-15,23H,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.70 -48.3n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248605
PNG
((3',5'-dichloro-2-hydroxy-6-methoxybiphenyl-4-yl)(...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H14Cl2O3/c1-25-18-10-14(20(24)12-5-3-2-4-6-12)9-17(23)19(18)13-7-15(21)11-16(22)8-13/h2-11,23H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
4.77 -48.3n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242087
PNG
(CHEMBL4078183)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6O2/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242125
PNG
(CHEMBL4077090)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(C)c2)c1
Show InChI InChI=1S/C24H26N6O2/c1-4-11-29-22-20(23(31)30(12-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)13-7-10-18-9-6-8-17(3)14-18/h6,8-9,14-16H,4-5,11-13H2,1-3H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50167577
PNG
(CHEMBL193458 | {2-[((1R,2S,4aR,13bS)-2-Hydroxy-1,2...)
Show SMILES COC(=O)CNC(=O)CNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
Show InChI InChI=1S/C25H32N4O5/c1-34-22(32)12-26-21(31)11-27-25(33)23-17-10-19-24-16(15-4-2-3-5-18(15)28-24)8-9-29(19)13-14(17)6-7-20(23)30/h2-5,14,17,19-20,23,28,30H,6-13H2,1H3,(H,26,31)(H,27,33)/t14-,17?,19-,20-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentol...


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242058
PNG
(CHEMBL4070936)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C24H24N6O4/c1-3-10-29-21-19(22(31)30(11-4-2)24(29)34)26-20(27-21)18-14-25-28(15-18)12-6-8-16-7-5-9-17(13-16)23(32)33/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)(H,32,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242085
PNG
(CHEMBL4080646)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C24H23F3N6O3/c1-3-11-32-21-19(22(34)33(12-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)13-5-6-16-7-9-18(10-8-16)36-24(25,26)27/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM181246
PNG
(US9139546, 44)
Show SMILES CC(C)(c1cccs1)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H16Cl2O2S/c1-19(2,17-4-3-5-24-17)12-8-15(22)18(16(23)9-12)11-6-13(20)10-14(21)7-11/h3-10,22-23H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5.69 -47.8n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242099
PNG
(CHEMBL4086077)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H23FN6O2/c1-3-11-29-21-19(22(31)30(12-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)13-5-6-16-7-9-18(24)10-8-16/h7-10,14-15H,3-4,11-13H2,1-2H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18663
PNG
((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
6.10 -43.6n/an/an/an/an/a7.44



The Ohio State University



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem Lett 18: 5567-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.002
BindingDB Entry DOI: 10.7270/Q2W0948B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242075
PNG
(CHEMBL4103585)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(OC)c2)c1
Show InChI InChI=1S/C24H26N6O3/c1-4-11-29-22-20(23(31)30(12-5-2)24(29)32)26-21(27-22)18-15-25-28(16-18)13-7-9-17-8-6-10-19(14-17)33-3/h6,8,10,14-16H,4-5,11-13H2,1-3H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242082
PNG
(CHEMBL4066128)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccc(C)cc2)c1
Show InChI InChI=1S/C24H26N6O2/c1-4-12-29-22-20(23(31)30(13-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)14-6-7-18-10-8-17(3)9-11-18/h8-11,15-16H,4-5,12-14H2,1-3H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242100
PNG
(CHEMBL4103997)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(F)c2)c1
Show InChI InChI=1S/C23H23FN6O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)12-6-8-16-7-5-9-18(24)13-16/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50167576
PNG
((1R,2S,4aR,13bS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15?,17-,18-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-2b adrenergic receptor


Bioorg Med Chem Lett 15: 2758-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.116
BindingDB Entry DOI: 10.7270/Q2KS6R23
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50242064
PNG
(CHEMBL4096746)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H21FN6O2/c1-3-11-29-21(30)18-20(28(4-2)22(29)31)26-19(25-18)16-13-24-27(14-16)12-5-6-15-7-9-17(23)10-8-15/h7-10,13-14H,3-4,11-12H2,1-2H3,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 251 total )  |  Next  |  Last  >>
Jump to: