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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50128089'   
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))
BDBM50128089
PNG
(CHEMBL2369370 | Tyr-Gly-Pro-Phe-Leu-Arg-NH2)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C37H54N10O7/c1-22(2)18-28(34(52)44-27(32(39)50)10-6-16-42-37(40)41)45-35(53)29(20-23-8-4-3-5-9-23)46-36(54)30-11-7-17-47(30)31(49)21-43-33(51)26(38)19-24-12-14-25(48)15-13-24/h3-5,8-9,12-15,22,26-30,48H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,50)(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H4,40,41,42)/t26-,27-,28-,29-,30?/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.60n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50128089
PNG
(CHEMBL2369370 | Tyr-Gly-Pro-Phe-Leu-Arg-NH2)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C37H54N10O7/c1-22(2)18-28(34(52)44-27(32(39)50)10-6-16-42-37(40)41)45-35(53)29(20-23-8-4-3-5-9-23)46-36(54)30-11-7-17-47(30)31(49)21-43-33(51)26(38)19-24-12-14-25(48)15-13-24/h3-5,8-9,12-15,22,26-30,48H,6-7,10-11,16-21,38H2,1-2H3,(H2,39,50)(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H4,40,41,42)/t26-,27-,28-,29-,30?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Antagonistic activity in the Opioid receptor kappa 1 -mediated [35S]GTP-gamma-S, binding assay against 50 nM U-50,488


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