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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50034248'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50034248
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(16-28(48)49)43-33(52)25(15-22-8-6-7-13-39-22)42-31(50)20(5)41-32(51)24(37)14-21-9-11-23(46)12-10-21/h6-13,18-20,24-26,29-30,46H,14-17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain

J Med Chem 38: 1242-6 (1995)


BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair