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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 = 'BDBM50185755'   
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))		BDBM50185755
PNG
(CHEMBL3823054)
Show SMILES Cc1cc(O)c(C)c(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C33H51N9O5/c1-19-16-28(43)21(3)20(2)23(19)18-24(35)30(45)41-26(13-9-15-39-33(37)38)31(46)42-27(17-22-10-5-4-6-11-22)32(47)40-25(29(36)44)12-7-8-14-34/h4-6,10-11,16,24-27,43H,7-9,12-15,17-18,34-35H2,1-3H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t24-,25-,26+,27-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars
Article
PubMed
 381n/an/an/an/an/an/an/an/a



Nanjing Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa-type opioid receptor in guniea pig brain membranes incubated for 2 hrs

Bioorg Med Chem Lett 26: 3629-31 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.003
BindingDB Entry DOI: 10.7270/Q2ZW1NVQ
More data for this
Ligand-Target Pair