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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50059371   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50059371
PNG
((S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50059371
PNG
((S)-3-(2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H50N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(6,7)40-26(45)17(5)36-27(46)20(33)12-18-8-10-19(41)11-9-18/h8-11,15-17,20-21,24-25,41H,12-14,33H2,1-7H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20+,21+,24+,25+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.54E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1


J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair