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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50082839'   
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-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50082839
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(S)-2-methy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@@H]1C)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41)14-13-33(17)12-6-11-31-27(38)35-25(19-9-10-20(29)21(30)15-19)24(26(37)42-3)18(2)32-28(35)39/h4-5,7-10,15,17,25H,6,11-14,16H2,1-3H3,(H,31,38)(H,32,39)/t17-,25?/m0/s1
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 34n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair