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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50190372   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190372
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperaz...)
Show SMILES CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
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PC cid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
BindingDB Entry DOI: 10.7270/Q29S1RV1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190372
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperaz...)
Show SMILES CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
BindingDB Entry DOI: 10.7270/Q29S1RV1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190372
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperaz...)
Show SMILES CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
BindingDB Entry DOI: 10.7270/Q29S1RV1
More data for this
Ligand-Target Pair