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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50470943'   
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
Alpha-1B adrenergic receptor


(HAMSTER)
BDBM50470943
PNG
(CHEMBL133451)
Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1
UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.74E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster clonal Alpha-1B adrenergic receptor


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50470943
PNG
(CHEMBL133451)
Show SMILES [H][C@@]1(CCCc2c(NS(C)(=O)=O)c(O)ccc12)C1=NCCN1 |t:19|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a<1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair