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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 = 'BDBM85782'   
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))		BDBM85782
PNG
([D-Ala8]Dyn A-(1-11)NH2)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C60H97N21O13/c1-34(2)29-44(80-54(90)45(31-36-13-5-4-6-14-36)75-48(84)33-72-47(83)32-73-50(86)39(62)30-37-20-22-38(82)23-21-37)53(89)77-41(17-10-26-70-59(65)66)52(88)76-40(16-9-25-69-58(63)64)51(87)74-35(3)49(85)78-42(18-11-27-71-60(67)68)56(92)81-28-12-19-46(81)55(91)79-43(57(93)94)15-7-8-24-61/h4-6,13-14,20-23,34-35,39-46,82H,7-12,15-19,24-33,61-62H2,1-3H3,(H,72,83)(H,73,86)(H,74,87)(H,75,84)(H,76,88)(H,77,89)(H,78,85)(H,79,91)(H,80,90)(H,93,94)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1
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PC cid
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Similars
Article
PubMed
 9.53n/an/an/an/an/an/an/an/a



University of Maryland

Curated by PDSP Ki Database




Chirality 13: 125-9 (2001)


Article DOI: 10.1002/1520-636X(2001)13:3
BindingDB Entry DOI: 10.7270/Q2SJ1J5H
More data for this
Ligand-Target Pair