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BDBM50129748 N,N-Dimethylaminoethyl 18-methoxycoronaridinate

SMILES: COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OCCN(C)C

InChI Key: InChIKey=NLVQALDWFSJMGA-WXPGHXCBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129748   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50129748
PNG
(N,N-Dimethylaminoethyl 18-methoxycoronaridinate)
Show SMILES COCC[C@H]1CC2CN3CCc4c([nH]c5ccccc45)[C@](C2)(C13)C(=O)OCCN(C)C |TLB:3:4:20.21:8.7,13:12:22:21.7.6,23:20:8.7:4.5,19:11:22:21.7.6,4:22:21.7.6:12.11.10.9,9:8:20.21:4.5,THB:12:20:8.7:4.5,5:6:22:12.11.10.9|
Show InChI InChI=1S/C25H35N3O3/c1-27(2)11-13-31-24(29)25-15-17-14-18(9-12-30-3)23(25)28(16-17)10-8-20-19-6-4-5-7-21(19)26-22(20)25/h4-7,17-18,23,26H,8-16H2,1-3H3/t17?,18-,23?,25+/m0/s1
PDB

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Similars
Article
PubMed
 188n/an/an/an/an/an/an/an/a



University of Vermont

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor kappa 1 from guinea pig brain membranes

J Med Chem 46: 2716-30 (2003)


Article DOI: 10.1021/jm020562o
BindingDB Entry DOI: 10.7270/Q23X87CQ
More data for this
Ligand-Target Pair