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

Found 20 hits with Last Name = 'jones' and Initial = 'rd'   
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


(Homo sapiens (Human))
BDBM50432188
PNG
(CHEMBL2346976)
Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24|
Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from full length androgen receptor in human LNCAP cells


Bioorg Med Chem Lett 23: 1945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.056
BindingDB Entry DOI: 10.7270/Q21J9C5N
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50432188
PNG
(CHEMBL2346976)
Show SMILES CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24|
Show InChI InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to rat androgen receptor ligand binding domain by fluorescence polarization assay


Bioorg Med Chem Lett 23: 1945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.056
BindingDB Entry DOI: 10.7270/Q21J9C5N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223444
PNG
(CHEMBL236042 | N-(3-methoxyphenethyl)-5-((R)-2-((R...)
Show SMILES COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)NC[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1
Show InChI InChI=1S/C30H35N3O5/c1-19(32-17-29(36)22-7-9-28(35)24(15-22)18-34)12-21-6-8-26-23(13-21)16-27(33-26)30(37)31-11-10-20-4-3-5-25(14-20)38-2/h3-9,13-16,19,29,32-36H,10-12,17-18H2,1-2H3,(H,31,37)/t19-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.254n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223443
PNG
(CHEMBL391308 | N-(2,6-dimethoxybenzyl)-5-((R)-2-((...)
Show SMILES CC[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(OC)cccc1OC)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C31H37N3O6/c1-4-23(32-17-28(37)20-9-11-27(36)22(14-20)18-35)13-19-8-10-25-21(12-19)15-26(34-25)31(38)33-16-24-29(39-2)6-5-7-30(24)40-3/h5-12,14-15,23,28,32,34-37H,4,13,16-18H2,1-3H3,(H,33,38)/t23-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.258n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223441
PNG
(5-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymeth...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1nccs1)NC[C@H](O)c1ccc(O)c(CO)c1 |r|
Show InChI InChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0310n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223433
PNG
(CHEMBL236041 | N-benzyl-5-((R)-2-((R)-2-hydroxy-2-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N(C)Cc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C29H33N3O4/c1-19(30-16-28(35)22-9-11-27(34)24(14-22)18-33)12-21-8-10-25-23(13-21)15-26(31-25)29(36)32(2)17-20-6-4-3-5-7-20/h3-11,13-15,19,28,30-31,33-35H,12,16-18H2,1-2H3/t19-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0220n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223434
PNG
(CHEMBL237501 | N-(2,6-dimethoxybenzyl)-5-((R)-2-((...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C30H35N3O6/c1-18(31-16-27(36)20-8-10-26(35)22(13-20)17-34)11-19-7-9-24-21(12-19)14-25(33-24)30(37)32-15-23-28(38-2)5-4-6-29(23)39-3/h4-10,12-14,18,27,31,33-36H,11,15-17H2,1-3H3,(H,32,37)/t18-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0580n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223439
PNG
(5-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymeth...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccc(cc1)S(N)(=O)=O)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H32N4O6S/c1-17(30-15-27(35)20-5-9-26(34)22(12-20)16-33)10-19-4-8-24-21(11-19)13-25(32-24)28(36)31-14-18-2-6-23(7-3-18)39(29,37)38/h2-9,11-13,17,27,30,32-35H,10,14-16H2,1H3,(H,31,36)(H2,29,37,38)/t17-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.122n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223442
PNG
(CHEMBL237709 | N-(2,6-dimethoxybenzyl)-1-ethyl-5-(...)
Show SMILES CCn1c(cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc12)C(=O)NCc1c(OC)cccc1OC
Show InChI InChI=1S/C32H39N3O6/c1-5-35-26-11-9-21(13-20(2)33-18-29(38)22-10-12-28(37)24(15-22)19-36)14-23(26)16-27(35)32(39)34-17-25-30(40-3)7-6-8-31(25)41-4/h6-12,14-16,20,29,33,36-38H,5,13,17-19H2,1-4H3,(H,34,39)/t20-,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223429
PNG
(CHEMBL236251 | N-(cyclobutylmethyl)-5-((R)-2-((R)-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCC1CCC1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C26H33N3O4/c1-16(27-14-25(32)19-6-8-24(31)21(11-19)15-30)9-18-5-7-22-20(10-18)12-23(29-22)26(33)28-13-17-3-2-4-17/h5-8,10-12,16-17,25,27,29-32H,2-4,9,13-15H2,1H3,(H,28,33)/t16-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0510n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223430
PNG
(CHEMBL391946 | N-benzyl-5-((R)-2-((R)-2-hydroxy-2-...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H31N3O4/c1-18(29-16-27(34)21-8-10-26(33)23(13-21)17-32)11-20-7-9-24-22(12-20)14-25(31-24)28(35)30-15-19-5-3-2-4-6-19/h2-10,12-14,18,27,29,31-34H,11,15-17H2,1H3,(H,30,35)/t18-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0490n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223436
PNG
(CHEMBL428027 | N-(2,6-dimethoxybenzyl)-5-((R)-2-((...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C
Show InChI InChI=1S/C31H37N3O6/c1-19(32-17-28(37)21-9-11-27(36)23(14-21)18-35)12-20-8-10-25-22(13-20)15-26(34(25)2)31(38)33-16-24-29(39-3)6-5-7-30(24)40-4/h5-11,13-15,19,28,32,35-37H,12,16-18H2,1-4H3,(H,33,38)/t19-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.706n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223438
PNG
(CHEMBL238347 | N-(2,6-dimethoxybenzyl)-1-benzyl-5-...)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C37H41N3O6/c1-24(38-21-34(43)27-13-15-33(42)29(18-27)23-41)16-26-12-14-31-28(17-26)19-32(40(31)22-25-8-5-4-6-9-25)37(44)39-20-30-35(45-2)10-7-11-36(30)46-3/h4-15,17-19,24,34,38,41-43H,16,20-23H2,1-3H3,(H,39,44)/t24-,34+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.687n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223440
PNG
(CHEMBL236040 | N-(2-(methylthio)benzyl)-5-((R)-2-(...)
Show SMILES CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C29H33N3O4S/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0380n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 0.0700n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223437
PNG
(CHEMBL394339 | N-(4-hydroxybenzyl)-5-((R)-2-((R)-2...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H31N3O5/c1-17(29-15-27(35)20-5-9-26(34)22(12-20)16-32)10-19-4-8-24-21(11-19)13-25(31-24)28(36)30-14-18-2-6-23(33)7-3-18/h2-9,11-13,17,27,29,31-35H,10,14-16H2,1H3,(H,30,36)/t17-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.164n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223432
PNG
(CHEMBL235612 | N-(2,6-difluorobenzyl)-5-((R)-2-((R...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1c(F)cccc1F)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C28H29F2N3O4/c1-16(31-14-27(36)18-6-8-26(35)20(11-18)15-34)9-17-5-7-24-19(10-17)12-25(33-24)28(37)32-13-21-22(29)3-2-4-23(21)30/h2-8,10-12,16,27,31,33-36H,9,13-15H2,1H3,(H,32,37)/t16-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0530n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223435
PNG
(5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymet...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)NCc1ccccn1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H30N4O4/c1-17(29-15-26(34)19-6-8-25(33)21(12-19)16-32)10-18-5-7-23-20(11-18)13-24(31-23)27(35)30-14-22-4-2-3-9-28-22/h2-9,11-13,17,26,29,31-34H,10,14-16H2,1H3,(H,30,35)/t17-,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0380n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223431
PNG
(5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymet...)
Show SMILES C[C@H](Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H](C)c1ccccc1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C29H33N3O4/c1-18(30-16-28(35)22-9-11-27(34)24(14-22)17-33)12-20-8-10-25-23(13-20)15-26(32-25)29(36)31-19(2)21-6-4-3-5-7-21/h3-11,13-15,18-19,28,30,32-35H,12,16-17H2,1-2H3,(H,31,36)/t18-,19-,28+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0580n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50223428
PNG
(CHEMBL236039 | N-(2-methoxybenzyl)-5-((R)-2-((R)-2...)
Show SMILES COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1
Show InChI InChI=1S/C29H33N3O5/c1-18(30-16-27(35)20-8-10-26(34)23(13-20)17-33)11-19-7-9-24-22(12-19)14-25(32-24)29(36)31-15-21-5-3-4-6-28(21)37-2/h3-10,12-14,18,27,30,32-35H,11,15-17H2,1-2H3,(H,31,36)/t18-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.0200n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels


Bioorg Med Chem Lett 17: 6188-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.031
BindingDB Entry DOI: 10.7270/Q2222VM3
More data for this
Ligand-Target Pair