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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 = 'BDBM50128081'   
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


(Homo sapiens (Human))
BDBM50128081
PNG
(CHEMBL2369390 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Ile-NH...)
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](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#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](-[#7])=O
Show InChI InChI=1S/C49H77N15O9/c1-5-29(4)40(41(51)67)63-44(70)35(15-10-22-57-49(54)55)59-43(69)34(14-9-21-56-48(52)53)60-45(71)36(24-28(2)3)61-46(72)37(26-30-12-7-6-8-13-30)62-47(73)38-16-11-23-64(38)39(66)27-58-42(68)33(50)25-31-17-19-32(65)20-18-31/h6-8,12-13,17-20,28-29,33-38,40,65H,5,9-11,14-16,21-27,50H2,1-4H3,(H2,51,67)(H,58,68)(H,59,69)(H,60,71)(H,61,72)(H,62,73)(H,63,70)(H4,52,53,56)(H4,54,55,57)/t29-,33-,34-,35-,36-,37-,38?,40-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair