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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 = 'BDBM50091720'   
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))		BDBM50091720
PNG
((S)-3-[(1R,3R)-3-(4-Cyano-4-phenyl-piperidin-1-yl)...)
Show SMILES COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C32H35F2N5O5/c1-43-18-26-27(29(40)44-2)28(20-8-11-24(33)25(34)16-20)39(31(42)37-26)30(41)36-22-9-10-23(17-22)38-14-12-32(19-35,13-15-38)21-6-4-3-5-7-21/h3-8,11,16,22-23,28H,9-10,12-15,17-18H2,1-2H3,(H,36,41)(H,37,42)/t22-,23-,28+/m1/s1
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Similars
PubMed
 0.370n/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