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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 = 'BDBM50123992'   
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


(GUINEA PIG)
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair