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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 = 'BDBM50034249'   
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))		BDBM50034249
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](Cc1ccc(C)cc1)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/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
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