BDBM50192313 CHEMBL3946313::US10239870, Example 174

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1C(F)(F)F

InChI Key InChIKey=DVUOLXOWKHDIAV-XXBNENTESA-N

Data  4 KI  6 IC50

  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 = 50192313   

TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Indivior

US Patent
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataKi:  7.08nMAssay Description:[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetD(3) dopamine receptor(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataKi:  7.10nMAssay Description:Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataKi:  955nMAssay Description:Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Indivior

US Patent
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataKi:  955nMAssay Description:CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50: >6.00E+3nMAssay Description:Inhibition of human CYP2C9 expressed in microsomes using FCA as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50:  1.32E+3nMAssay Description:Inhibition of human ERG transfected in HEK293 cells assessed as reduction in tail current by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50: >6.00E+3nMAssay Description:Inhibition of human CYP3A4 expressed in microsomes using DEF as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50: >6.00E+3nMAssay Description:Inhibition of human CYP2C19 expressed in microsomes using BMC as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50: >6.00E+3nMAssay Description:Inhibition of human CYP1A2 expressed in microsomes using ER as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192313(CHEMBL3946313 | US10239870, Example 174)
Affinity DataIC50: >6.00E+3nMAssay Description:Inhibition of human CYP2D6 expressed in microsomes using MMC as substrate after 10 mins by P450 cypex assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed