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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 = 'BDBM50117263'   
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


(Homo sapiens (Human))
BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.3-3.7)


J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)


J Med Chem 45: 3746-54 (2002)


BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair