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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 = 'BDBM50193540'   
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))
BDBM50193540
PNG
(14beta-(4'-methylcinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(C)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C28H30N2O4/c1-17-4-6-18(7-5-17)8-11-23(32)29-28-13-12-20(31)26-27(28)14-15-30(2)22(28)16-19-9-10-21(33-3)25(34-26)24(19)27/h4-11,22,26H,12-16H2,1-3H3,(H,29,32)/b11-8+/t22?,26-,27-,28+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.490n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193540
PNG
(14beta-(4'-methylcinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(C)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C28H30N2O4/c1-17-4-6-18(7-5-17)8-11-23(32)29-28-13-12-20(31)26-27(28)14-15-30(2)22(28)16-19-9-10-21(33-3)25(34-26)24(19)27/h4-11,22,26H,12-16H2,1-3H3,(H,29,32)/b11-8+/t22?,26-,27-,28+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPgammaS binding to human recombinant MOR


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair