BDBM50207113 CHEMBL3896937::US9550741, IV-3

SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1

InChI Key InChIKey=DBRVEHQLZZEVFX-UHFFFAOYSA-N

Data  10 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50207113   

TargetD(3) dopamine receptor(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.0550nMAssay Description:Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2018
Entry Details Article
PubMed
TargetVitamin D3 receptor(Human)
Shanghai Institute of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.0680nMAssay Description:The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2018
Entry Details
Go to US Patent

TargetVitamin D3 receptor(Human)
Shanghai Institute of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.0680nMAssay Description:The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2018
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 2A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.490nMpH: 7.7Assay Description:1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2018
Entry Details
Go to US Patent

TargetD(2) dopamine receptor(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.510nMAssay Description:Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2018
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.880nMpH: 7.5Assay Description:1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2018
Entry Details
Go to US Patent

TargetD(2) dopamine receptor(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  0.880nMpH: 7.5Assay Description:1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2018
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 1A(Human)
Shanghai Institute of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  1.79nMpH: 7.4Assay Description:1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2018
Entry Details
Go to US Patent

Target5-hydroxytryptamine receptor 1A(Human)
Shanghai Institute of Pharmaceutical Industry

US Patent
LigandPNGBDBM50207113(CHEMBL3896937 | US9550741, IV-3)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2018
Entry Details Article
PubMed