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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50036140'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50036140
PNG
(22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14-ox...)
Show SMILES OC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67
Show InChI InChI=1S/C27H26N2O5/c30-18-7-6-14-10-19-27(33)11-17-15-2-1-3-16(25(31)32)21(15)28-22(17)24-26(27,20(14)23(18)34-24)8-9-29(19)12-13-4-5-13/h1-3,6-7,13,19,24,28,30,33H,4-5,8-12H2,(H,31,32)/t19?,24-,26?,27+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes


J Med Chem 38: 402-7 (1995)


Article DOI: 10.1021/jm00003a002
BindingDB Entry DOI: 10.7270/Q22N52W5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50036140
PNG
(22-cyclopropylmethyl-2,16-dihydroxy-(2S,13R)-14-ox...)
Show SMILES OC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67
Show InChI InChI=1S/C27H26N2O5/c30-18-7-6-14-10-19-27(33)11-17-15-2-1-3-16(25(31)32)21(15)28-22(17)24-26(27,20(14)23(18)34-24)8-9-29(19)12-13-4-5-13/h1-3,6-7,13,19,24,28,30,33H,4-5,8-12H2,(H,31,32)/t19?,24-,26?,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0160n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The opioid receptor affinity(Ki) was evaluated by competition with [3H]DSLET (delta 2) on guinea pig brain membranes


J Med Chem 38: 402-7 (1995)


Article DOI: 10.1021/jm00003a002
BindingDB Entry DOI: 10.7270/Q22N52W5
More data for this
Ligand-Target Pair