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BDBM50190360 1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol::CHEMBL212743

SMILES: Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=XGXZTGGFJHBJDN-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50190360   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190360
PNG
(1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
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Article
PubMed
140n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190360
PNG
(1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
PDB

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Article
PubMed
1.00E+3n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190360
PNG
(1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem

Patents


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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