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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 = 'BDBM50051599'   
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))		BDBM50051599
PNG
(CHEMBL415224 | Dynorphin A analogues)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C65H108N22O12/c1-7-38(4)52(61(98)83-47(22-15-31-77-65(73)74-6)62(99)87-32-16-23-50(87)60(97)80-44(53(68)90)19-11-12-28-66)86-57(94)46(21-14-30-76-64(71)72)81-56(93)45(20-13-29-75-63(69)70)82-58(95)48(33-37(2)3)85-59(96)49(35-40-17-9-8-10-18-40)84-54(91)39(5)79-51(89)36-78-55(92)43(67)34-41-24-26-42(88)27-25-41/h8-10,17-18,24-27,37-39,43-50,52,88H,7,11-16,19-23,28-36,66-67H2,1-6H3,(H2,68,90)(H,78,92)(H,79,89)(H,80,97)(H,81,93)(H,82,95)(H,83,98)(H,84,91)(H,85,96)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H3,73,74,77)/t38-,39+,43-,44-,45-,46-,47-,48-,49-,50-,52-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of binding [3H]U-69,539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.

J Med Chem 39: 2456-60 (1996)


Article DOI: 10.1021/jm950655o
BindingDB Entry DOI: 10.7270/Q2C828D7
More data for this
Ligand-Target Pair