BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'adams' and Initial = 'la'   
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
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178953
PNG
(CHEMBL3815166)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H26N2O4S/c1-27(2,3)21-7-5-6-20(16-21)25-17-24(18-8-10-19(11-9-18)26(30)31)28-29(25)22-12-14-23(15-13-22)34(4,32)33/h5-17H,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178952
PNG
(CHEMBL3814574)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H32N2O4S/c1-30(2)16-17-31(3,4)26-18-22(10-15-25(26)30)28-19-27(20-6-8-21(9-7-20)29(34)35)32-33(28)23-11-13-24(14-12-23)38(5,36)37/h6-15,18-19H,16-17H2,1-5H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178954
PNG
(CHEMBL3813779)
Show SMILES Cc1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28N2O4S/c1-18-14-21(16-22(15-18)28(2,3)4)26-17-25(19-6-8-20(9-7-19)27(31)32)29-30(26)23-10-12-24(13-11-23)35(5,33)34/h6-17H,1-5H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178961
PNG
(CHEMBL2385268)
Show SMILES CC1(C)CC=C(c2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12
Show InChI InChI=1S/C27H24O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h3-16,18H,17H2,1-2H3,(H,28,29)/b9-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178955
PNG
(CHEMBL3813965)
Show SMILES CC(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H32N2O4S/c1-19(2)22-15-23(17-24(16-22)30(3,4)5)28-18-27(20-7-9-21(10-8-20)29(33)34)31-32(28)25-11-13-26(14-12-25)37(6,35)36/h7-19H,1-6H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178956
PNG
(CHEMBL3813807)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H34N2O4S/c1-30(2,3)23-16-22(17-24(18-23)31(4,5)6)28-19-27(20-8-10-21(11-9-20)29(34)35)32-33(28)25-12-14-26(15-13-25)38(7,36)37/h8-19H,1-7H3,(H,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
461n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178960
PNG
(CHEMBL3813702)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C35H39N3O4/c1-34(2,3)27-19-26(20-28(21-27)35(4,5)6)31-22-30(23-7-9-25(10-8-23)33(40)41)36-38(31)29-13-11-24(12-14-29)32(39)37-15-17-42-18-16-37/h7-14,19-22H,15-18H2,1-6H3,(H,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178959
PNG
(CHEMBL3814385)
Show SMILES CN(C)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H37N3O3/c1-32(2,3)25-17-24(18-26(19-25)33(4,5)6)29-20-28(21-9-11-23(12-10-21)31(38)39)34-36(29)27-15-13-22(14-16-27)30(37)35(7)8/h9-20H,1-8H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178958
PNG
(CHEMBL3813975)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(N)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H33N3O3/c1-30(2,3)23-15-22(16-24(17-23)31(4,5)6)27-18-26(19-7-9-21(10-8-19)29(36)37)33-34(27)25-13-11-20(12-14-25)28(32)35/h7-18H,1-6H3,(H2,32,35)(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178962
PNG
(CHEMBL3814815)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C36H42N4O3/c1-35(2,3)28-20-27(21-29(22-28)36(4,5)6)32-23-31(24-8-10-26(11-9-24)34(42)43)37-40(32)30-14-12-25(13-15-30)33(41)39-18-16-38(7)17-19-39/h8-15,20-23H,16-19H2,1-7H3,(H,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens)
BDBM50178957
PNG
(CHEMBL3814015)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H37N3O4S/c1-31(2,3)24-17-23(18-25(19-24)32(4,5)6)29-20-28(21-9-11-22(12-10-21)30(36)37)33-35(29)26-13-15-27(16-14-26)40(38,39)34(7)8/h9-20H,1-8H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423819
PNG
(CHEMBL1830617)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 44n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 141n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423825
PNG
(CHEMBL1830493)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+/t37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 42n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 76n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423826
PNG
(CHEMBL1830492)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 58n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423827
PNG
(CHEMBL1830491)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+/t41-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 107n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423828
PNG
(CHEMBL1830488)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 63n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 151n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423829
PNG
(CHEMBL1830485)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+/t37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 26n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 162n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423825
PNG
(CHEMBL1830493)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+/t37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 74n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423826
PNG
(CHEMBL1830492)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 112n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423827
PNG
(CHEMBL1830491)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+/t41-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 68n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 240n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423828
PNG
(CHEMBL1830488)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 355n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423829
PNG
(CHEMBL1830485)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+/t37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 91n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423822
PNG
(CHEMBL1830621)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16-19-42(55(37)47)44-8-5-29-63-44)13-10-34-11-17-39(18-12-34)61-33-46(58)52-21-3-1-2-9-45(57)53-24-26-60-28-27-59-25-23-50-31-38(56)32-62-43-7-4-6-41-40(43)20-22-51-41/h4-8,10-20,22,29-30,38,50-51,56H,1-3,9,21,23-28,31-33H2,(H,52,58)(H,53,57)/b13-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 38n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 200n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423823
PNG
(CHEMBL1830620)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C42H45BF2N6O5S/c44-43(45)50-31(14-15-32(50)26-33-16-19-38(51(33)43)40-8-5-25-57-40)13-10-30-11-17-35(18-12-30)55-29-42(54)48-21-3-1-2-9-41(53)49-24-23-46-27-34(52)28-56-39-7-4-6-37-36(39)20-22-47-37/h4-8,10-20,22,25-26,34,46-47,52H,1-3,9,21,23-24,27-29H2,(H,48,54)(H,49,53)/b13-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 302n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423818
PNG
(CHEMBL1830619)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 17n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.40n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423824
PNG
(CHEMBL1830618)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+/t41-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.60n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 166n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423823
PNG
(CHEMBL1830620)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C42H45BF2N6O5S/c44-43(45)50-31(14-15-32(50)26-33-16-19-38(51(33)43)40-8-5-25-57-40)13-10-30-11-17-35(18-12-30)55-29-42(54)48-21-3-1-2-9-41(53)49-24-23-46-27-34(52)28-56-39-7-4-6-37-36(39)20-22-47-37/h4-8,10-20,22,25-26,34,46-47,52H,1-3,9,21,23-24,27-29H2,(H,48,54)(H,49,53)/b13-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 30n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423822
PNG
(CHEMBL1830621)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16-19-42(55(37)47)44-8-5-29-63-44)13-10-34-11-17-39(18-12-34)61-33-46(58)52-21-3-1-2-9-45(57)53-24-26-60-28-27-59-25-23-50-31-38(56)32-62-43-7-4-6-41-40(43)20-22-51-41/h4-8,10-20,22,29-30,38,50-51,56H,1-3,9,21,23-28,31-33H2,(H,52,58)(H,53,57)/b13-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 7.20n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423819
PNG
(CHEMBL1830617)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423824
PNG
(CHEMBL1830618)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+/t41-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.427n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423818
PNG
(CHEMBL1830619)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.617n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 79n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 115n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.537n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 794n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 182n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423828
PNG
(CHEMBL1830488)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 0.724n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50423829
PNG
(CHEMBL1830485)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+/t37-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 130 total )  |  Next  |  Last  >>
Jump to: