BDBM31774 CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812

SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

InChI Key InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N

Data  7 KI  54 IC50  10 Kd  3 EC50

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 31774   

TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataKi:  100nMAssay Description:Binding affinity to biotinylated human CAR LBD after 1 hr by Scintillation Proximity AssayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  690nMAssay Description:Inverse agonist activity at human CAR-LBD transfected in CV-1 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  100nMAssay Description:Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-SRC1 coactivator recruitment after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 3(Homo sapiens (Human))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM31774(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Affinity DataIC50:  80nMAssay Description:Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed