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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 = 'BDBM50369821'   
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)
BDBM50369821
PNG
(CHEMBL1169585)
Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9|
Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO


J Med Chem 43: 1852-7 (2000)


BindingDB Entry DOI: 10.7270/Q2J67HN1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50369821
PNG
(CHEMBL1169585)
Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9|
Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 0.660n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
EC50 for binding of [35S]- GTPdeltaS in cloned human oOpioid receptor mu 1 (DAMGO) transfected onto CHO cells


J Med Chem 43: 1852-7 (2000)


BindingDB Entry DOI: 10.7270/Q2J67HN1
More data for this
Ligand-Target Pair