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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 = 'BDBM50292916'   
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))
BDBM50292916
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50292916
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-10-8-19-15-24-30(36)12-11-21(32-28(35)22-9-7-18-3-1-2-4-20(18)31-22)27-29(30,25(19)26(23)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,21,24,27,34,36H,5-6,11-16H2,(H,32,35)/t21-,24-,27+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.690n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair