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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50185329   
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


(Rattus norvegicus (rat))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/m0/s1
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Article
PubMed
0.140n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/m0/s1
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PC sid
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Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/m0/s1
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PC cid
PC sid
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Article
PubMed
64n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00308
BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair