Found 3 hits in this display 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 |
|---|
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50096768
(CHEMBL120238 | Cyanoguanidine derivative)Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-27-12-8-24(9-13-27)30-21-49-34(45-30)46-18-15-28-29(4-1-5-31(28)46)44-33(42-22-39)43-26-10-6-23(7-11-26)14-17-41-20-32(47)25-3-2-16-40-19-25/h1-13,16,19,21,32,41,47H,14-15,17-18,20H2,(H2,42,43,44)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells |
Bioorg Med Chem Lett 11: 379-82 (2001)
BindingDB Entry DOI: 10.7270/Q2CR5SNJ |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50096768
(CHEMBL120238 | Cyanoguanidine derivative)Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-27-12-8-24(9-13-27)30-21-49-34(45-30)46-18-15-28-29(4-1-5-31(28)46)44-33(42-22-39)43-26-10-6-23(7-11-26)14-17-41-20-32(47)25-3-2-16-40-19-25/h1-13,16,19,21,32,41,47H,14-15,17-18,20H2,(H2,42,43,44)/t32-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]-iodocyanopindolol as radioligand in CHO cells |
Bioorg Med Chem Lett 11: 379-82 (2001)
BindingDB Entry DOI: 10.7270/Q2CR5SNJ |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50096768
(CHEMBL120238 | Cyanoguanidine derivative)Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc3N(CCc23)c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)=NC#N)cc1)c1cccnc1 |w:38.42| Show InChI InChI=1S/C35H31F3N8O2S/c36-35(37,38)48-27-12-8-24(9-13-27)30-21-49-34(45-30)46-18-15-28-29(4-1-5-31(28)46)44-33(42-22-39)43-26-10-6-23(7-11-26)14-17-41-20-32(47)25-3-2-16-40-19-25/h1-13,16,19,21,32,41,47H,14-15,17-18,20H2,(H2,42,43,44)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro efficacy at human beta-3 adrenergic receptor. |
Bioorg Med Chem Lett 11: 379-82 (2001)
BindingDB Entry DOI: 10.7270/Q2CR5SNJ |
More data for this
Ligand-Target Pair | |