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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 = 'BDBM50031575'   
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))
BDBM50031575
PNG
(CHEMBL2369871 | cyclo[D-Asp2,Orn5]Dyn A-(1-13)NH2)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C76H126N26O15/c1-5-44(4)61(72(116)98-54(25-16-36-90-76(85)86)73(117)102-37-17-26-58(102)71(115)97-50(21-10-12-32-78)67(111)100-55(38-43(2)3)69(113)93-49(62(80)106)20-9-11-31-77)101-68(112)53(24-15-35-89-75(83)84)95-65(109)51(23-14-34-88-74(81)82)94-66(110)52-22-13-33-87-59(104)41-57(99-63(107)48(79)39-46-27-29-47(103)30-28-46)64(108)91-42-60(105)92-56(70(114)96-52)40-45-18-7-6-8-19-45/h6-8,18-19,27-30,43-44,48-58,61,103H,5,9-17,20-26,31-42,77-79H2,1-4H3,(H2,80,106)(H,87,104)(H,91,108)(H,92,105)(H,93,113)(H,94,110)(H,95,109)(H,96,114)(H,97,115)(H,98,116)(H,99,107)(H,100,111)(H,101,112)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t44-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58-,61-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.680n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Opioid receptor kappa 1 of guinea pig cerebellum using [3H]-bremazocine as the radioligand using ...


J Med Chem 38: 2410-7 (1995)


BindingDB Entry DOI: 10.7270/Q2CV4GS8
More data for this
Ligand-Target Pair