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SMILES: COC[C@H]1CCCN1c1ncc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1

InChI Key: InChIKey=COUCKRSHAVZZTJ-YLJYHZDGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 317610   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM317610
PNG
(US9624199, 20 | {2-[(2R)-2-(Methoxymethyl)pyrrolid...)
Show SMILES COC[C@H]1CCCN1c1ncc(cn1)C(=O)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Show InChI InChI=1S/C22H35N5O2/c1-17-5-3-9-26(15-17)19-7-11-25(12-8-19)21(28)18-13-23-22(24-14-18)27-10-4-6-20(27)16-29-2/h13-14,17,19-20H,3-12,15-16H2,1-2H3/t17-,20-/m1/s1
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US Patent
n/an/a 41n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...

US Patent US9624199 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6VB7
More data for this
Ligand-Target Pair