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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 = 'BDBM50138769'   
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


(Rattus norvegicus (rat))		BDBM50138769
PNG
(CHEMBL410152 | Linear [D-Ala3]Dyn A-(1-11)NH2)
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](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H103N23O14/c1-4-34(2)49(59(99)81-43(19-12-28-76-63(72)73)60(100)86-29-13-20-47(86)58(98)78-40(50(67)90)16-8-9-25-64)85-54(94)42(18-11-27-75-62(70)71)79-53(93)41(17-10-26-74-61(68)69)80-57(97)46(33-65)84-56(96)44(31-36-14-6-5-7-15-36)82-51(91)35(3)77-55(95)45(32-48(88)89)83-52(92)39(66)30-37-21-23-38(87)24-22-37/h5-7,14-15,21-24,34-35,39-47,49,87H,4,8-13,16-20,25-33,64-66H2,1-3H3,(H2,67,90)(H,77,95)(H,78,98)(H,79,93)(H,80,97)(H,81,99)(H,82,91)(H,83,92)(H,84,96)(H,85,94)(H,88,89)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t34-,35+,39-,40-,41-,42-,43-,44-,45+,46-,47-,49-/m0/s1
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Similars
Article
PubMed
 6.12n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]-diprenorphine as radioligand

J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair