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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50091725'   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50091725
PNG
((S)-4-(3,4-Difluoro-phenyl)-6-methoxymethyl-2-oxo-...)
Show SMILES COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C30H35F2N5O5/c1-41-17-25-26(28(38)42-2)27(19-6-9-22(31)23(32)15-19)37(30(40)35-25)29(39)34-20-7-8-21(16-20)36-13-10-18(11-14-36)24-5-3-4-12-33-24/h3-6,9,12,15,18,20-21,27H,7-8,10-11,13-14,16-17H2,1-2H3,(H,34,39)(H,35,40)/t20-,21-,27+/m1/s1
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PC cid
PC sid
UniChem
PubMed
0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]HEAT from human Alpha-1A adrenergic receptor stably expressed in CHO cells


Bioorg Med Chem Lett 10: 1917-20 (2001)


BindingDB Entry DOI: 10.7270/Q2KH0NWK
More data for this
Ligand-Target Pair