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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50018719'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50018719
PNG
(2-Amino-3-(4-hydroxy-phenyl)-N-(1-{[(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C19H30N4O4/c1-12(2)8-9-21-17(25)11-22-18(26)13(3)23-19(27)16(20)10-14-4-6-15(24)7-5-14/h4-7,12-13,16,24H,8-11,20H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t13-,16+/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes


J Med Chem 31: 374-83 (1988)


BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50018719
PNG
(2-Amino-3-(4-hydroxy-phenyl)-N-(1-{[(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C19H30N4O4/c1-12(2)8-9-21-17(25)11-22-18(26)13(3)23-19(27)16(20)10-14-4-6-15(24)7-5-14/h4-7,12-13,16,24H,8-11,20H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t13-,16+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 323n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...


J Med Chem 31: 374-83 (1988)


BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair