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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 = 'BDBM50057382'   
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))		BDBM50057382
PNG
(Analog of Dynorphin A | CHEMBL386618)
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]1CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)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/C71H115N25O16/c1-40(2)34-51(63(106)93-50(68(111)112)17-7-9-28-73)94-61(104)46(16-6-8-27-72)91-66(109)54-21-13-33-96(54)67(110)49(20-12-31-84-71(79)80)92-62(105)48-26-32-81-59(102)45(18-10-29-82-69(75)76)89-60(103)47(19-11-30-83-70(77)78)90-65(108)53(37-55(98)87-48)95-64(107)52(36-41-14-4-3-5-15-41)88-57(100)39-85-56(99)38-86-58(101)44(74)35-42-22-24-43(97)25-23-42/h3-5,14-15,22-25,40,44-54,97H,6-13,16-21,26-39,72-74H2,1-2H3,(H,81,102)(H,85,99)(H,86,101)(H,87,98)(H,88,100)(H,89,103)(H,90,108)(H,91,109)(H,92,105)(H,93,106)(H,94,104)(H,95,107)(H,111,112)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)/t44-,45-,46-,47+,48+,49-,50-,51-,52-,53+,54-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 14n/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