Found 241 hits with Last Name = 'cowan' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50493818
(Oliceridine | TRV-130 | US11124523, Comparative Co...)Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human mu opioid receptor by radio-ligand binding assay |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002595
(Solabegron)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002595
(Solabegron)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50470654
(CHEMBL141019)Show SMILES CCc1cc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ncccc2n1 Show InChI InChI=1S/C23H18N6S/c1-2-16-14-21(22-20(25-16)8-5-13-24-22)30-17-11-9-15(10-12-17)18-6-3-4-7-19(18)23-26-28-29-27-23/h3-14H,2H2,1H3,(H,26,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50003392
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)Show SMILES Cc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C24H19N5O/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50029659
(2-Methyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylsul...)Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C23H17N5S/c1-15-14-22(20-8-4-5-9-21(20)24-15)29-17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-25-27-28-26-23/h2-14H,1H3,(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50003391
(2-Methyl-4-{2-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)Show SMILES Cc1cc(CCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C25H21N5/c1-17-16-20(22-7-4-5-9-24(22)26-17)15-12-18-10-13-19(14-11-18)21-6-2-3-8-23(21)25-27-29-30-28-25/h2-11,13-14,16H,12,15H2,1H3,(H,27,28,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50470658
(CHEMBL142409)Show SMILES Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2ccccc2n1 Show InChI InChI=1S/C22H16N6S/c1-14-23-20-9-5-4-8-19(20)22(24-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50003406
(2-Methyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)Show SMILES Cc1cc(SCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C24H19N5S/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422411
(CHEMBL154419)Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r... |
J Med Chem 45: 567-83 (2002)
BindingDB Entry DOI: 10.7270/Q2W0976P |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422411
(CHEMBL154419)Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r... |
J Med Chem 45: 567-83 (2002)
BindingDB Entry DOI: 10.7270/Q2W0976P |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50470655
(CHEMBL341724)Show InChI InChI=1S/C19H15N5S/c1-13-12-16(10-11-20-13)25-15-8-6-14(7-9-15)17-4-2-3-5-18(17)19-21-23-24-22-19/h2-12H,1H3,(H,21,22,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422410
(CHEMBL348501)Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r... |
J Med Chem 45: 567-83 (2002)
BindingDB Entry DOI: 10.7270/Q2W0976P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50493811
(CHEMBL2443278)Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50470656
(CHEMBL358791)Show SMILES Cc1cc(Sc2ccc(cc2)-c2ccccc2-c2nnn(n2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C42H31N5S/c1-30-29-40(38-23-13-14-24-39(38)43-30)48-35-27-25-31(26-28-35)36-21-11-12-22-37(36)41-44-46-47(45-41)42(32-15-5-2-6-16-32,33-17-7-3-8-18-33)34-19-9-4-10-20-34/h2-29H,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50493818
(Oliceridine | TRV-130 | US11124523, Comparative Co...)Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422409
(CHEMBL347582)Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r... |
J Med Chem 45: 567-83 (2002)
BindingDB Entry DOI: 10.7270/Q2W0976P |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422410
(CHEMBL348501)Show SMILES C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-6-12-24(13-7-18)35(33,34)30-26(32)14-20-8-10-23(11-9-20)29-16-19(2)28-17-25(31)21-4-3-5-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r... |
J Med Chem 45: 567-83 (2002)
BindingDB Entry DOI: 10.7270/Q2W0976P |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50493818
(Oliceridine | TRV-130 | US11124523, Comparative Co...)Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50493811
(CHEMBL2443278)Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50470659
(CHEMBL358044)Show SMILES Cc1cc(c2ccccc2[n+]1[O-])S(=O)(=O)c1ccc(cc1)-c1ccccc1-c1nn[nH]n1 Show InChI InChI=1S/C23H17N5O3S/c1-15-14-22(20-8-4-5-9-21(20)28(15)29)32(30,31)17-12-10-16(11-13-17)18-6-2-3-7-19(18)23-24-26-27-25-23/h2-14H,1H3,(H,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
(RAT) | BDBM50470657
(CHEMBL142300)Show SMILES Cc1nc(Sc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c2cc[nH]c2n1 Show InChI InChI=1S/C20H15N7S/c1-12-22-18-17(10-11-21-18)20(23-12)28-14-8-6-13(7-9-14)15-4-2-3-5-16(15)19-24-26-27-25-19/h2-11H,1H3,(H,21,22,23)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burroughs Wellcome Co.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats |
J Med Chem 38: 4670-8 (1995)
Article DOI: 10.1021/jm00023a006
BindingDB Entry DOI: 10.7270/Q21J9DHJ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422409
(CHEMBL347582)Show SMILES C[C@H](CNc1cccc(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C26H30ClN3O4S/c1-18-9-11-24(12-10-18)35(33,34)30-26(32)14-20-5-3-8-23(13-20)29-16-19(2)28-17-25(31)21-6-4-7-22(27)15-21/h3-13,15,19,25,28-29,31H,14,16-17H2,1-2H3,(H,30,32)/t19-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human r... |
J Med Chem 45: 567-83 (2002)
BindingDB Entry DOI: 10.7270/Q2W0976P |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50493818
(Oliceridine | TRV-130 | US11124523, Comparative Co...)Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 | PDB
KEGG
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UniChem
| Article
PubMed
| n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.5 tonic ion channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50493811
(CHEMBL2443278)Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.5 tonic ion channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50493818
(Oliceridine | TRV-130 | US11124523, Comparative Co...)Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1 | PDB
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antibodypedia
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UniChem
| Article
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| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50493811
(CHEMBL2443278)Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1cccs1 |r| Show InChI InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trevena, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique |
J Med Chem 56: 8019-31 (2013)
Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002595
(Solabegron)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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MCE
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Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002596
(CHEMBL424866)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002597
(CHEMBL377028)Show SMILES C[C@H](CNc1cccc(c1)-c1ccccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)18-7-4-8-19(25)12-18)14-27-20-9-5-6-17(13-20)21-10-2-3-11-22(21)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422411
(CHEMBL154419)Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002595
(Solabegron)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002598
(CHEMBL152535)Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1 | PDB
Reactome pathway
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CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002596
(CHEMBL424866)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(n1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-17-6-1-5-16(12-17)21(27)14-24-10-11-25-18-7-2-4-15(13-18)19-8-3-9-20(26-19)22(28)29/h1-9,12-13,21,24-25,27H,10-11,14H2,(H,28,29)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002599
(CHEMBL205224)Show SMILES C[C@H](CNc1cccc(c1)-c1cccc(c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)19-7-3-9-21(25)12-19)14-27-22-10-4-6-18(13-22)17-5-2-8-20(11-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002601
(CHEMBL383511)Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)20-5-2-6-21(25)12-20)14-27-22-7-3-4-19(13-22)17-8-10-18(11-9-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
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PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002601
(CHEMBL383511)Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)20-5-2-6-21(25)12-20)14-27-22-7-3-4-19(13-22)17-8-10-18(11-9-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002597
(CHEMBL377028)Show SMILES C[C@H](CNc1cccc(c1)-c1ccccc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)18-7-4-8-19(25)12-18)14-27-20-9-5-6-17(13-20)21-10-2-3-11-22(21)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002595
(Solabegron)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002602
(CHEMBL205389)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002602
(CHEMBL205389)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cncc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-19-5-1-4-16(10-19)21(27)14-24-7-8-26-20-6-2-3-15(11-20)17-9-18(22(28)29)13-25-12-17/h1-6,9-13,21,24,26-27H,7-8,14H2,(H,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50422411
(CHEMBL154419)Show SMILES C[C@H](CNc1ccc(CC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H23ClN2O3/c1-13(21-12-18(23)15-3-2-4-16(20)10-15)11-22-17-7-5-14(6-8-17)9-19(24)25/h2-8,10,13,18,21-23H,9,11-12H2,1H3,(H,24,25)/t13-,18+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002605
(CHEMBL206002)Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002606
(CHEMBL204827)Show SMILES Cc1ccc(cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1)C(O)=O Show InChI InChI=1S/C24H25ClN2O3/c1-16-8-9-19(24(29)30)14-22(16)17-4-3-7-21(13-17)27-11-10-26-15-23(28)18-5-2-6-20(25)12-18/h2-9,12-14,23,26-28H,10-11,15H2,1H3,(H,29,30)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002608
(CHEMBL207943)Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cnccc1C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O3/c23-17-5-1-4-16(11-17)21(27)14-25-9-10-26-18-6-2-3-15(12-18)20-13-24-8-7-19(20)22(28)29/h1-8,11-13,21,25-27H,9-10,14H2,(H,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002605
(CHEMBL206002)Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002606
(CHEMBL204827)Show SMILES Cc1ccc(cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1)C(O)=O Show InChI InChI=1S/C24H25ClN2O3/c1-16-8-9-19(24(29)30)14-22(16)17-4-3-7-21(13-17)27-11-10-26-15-23(28)18-5-2-6-20(25)12-18/h2-9,12-14,23,26-28H,10-11,15H2,1H3,(H,29,30)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50002598
(CHEMBL152535)Show SMILES C[C@H](Cc1ccc(OCC([O-])=O)cc1)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18+;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | <794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production |
J Med Chem 49: 2758-71 (2006)
Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5 |
More data for this
Ligand-Target Pair | |
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