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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 Adrenergic Receptor' and Monomerid = 50075892   
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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50075892
PNG
(CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol


Bioorg Med Chem Lett 9: 755-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00072-4
BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50075892
PNG
(CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 1251-iodocyanopindolol


Bioorg Med Chem Lett 9: 749-54 (1999)


Article DOI: 10.1016/s0960-894x(99)00073-6
BindingDB Entry DOI: 10.7270/Q22Z14QB
More data for this
Ligand-Target Pair