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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 = 'BDBM50057379'   
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))		BDBM50057379
PNG
(Analog of Dynorphin A | CHEMBL407076)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H115N25O17/c1-39(2)32-50(62(106)92-49(67(111)112)17-7-9-27-72)93-61(105)46(16-6-8-26-71)90-65(109)53-21-13-31-95(53)66(110)48(20-12-30-83-70(79)80)91-58(102)44(74)36-85-59(103)45(18-10-28-81-68(75)76)88-60(104)47(19-11-29-82-69(77)78)89-64(108)52(35-56(99)100)94-63(107)51(34-40-14-4-3-5-15-40)87-55(98)38-84-54(97)37-86-57(101)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-74H2,1-2H3,(H,84,97)(H,85,103)(H,86,101)(H,87,98)(H,88,104)(H,89,108)(H,90,109)(H,91,102)(H,92,106)(H,93,105)(H,94,107)(H,99,100)(H,111,112)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t43-,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]-diprenorphine using cloned receptors transiently expressed ...

J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair