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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 = 'BDBM50009678'   
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))		BDBM50009678
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...)
Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 8.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.

J Med Chem 34: 2816-21 (1991)


BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair