BDBM50192244 CHEMBL3964649::US10239870, Example 188

SMILES Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(O)=O

InChI Key InChIKey=FXIOLEMXUYMYEG-NLFFAJNJSA-N

Data  4 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50192244   

TargetD(3) dopamine receptor(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataKi:  36nMAssay 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(3) dopamine receptor(Rattus norvegicus (Rat))
Indivior

US Patent
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataKi:  36.3nMAssay 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(2) dopamine receptor(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataKi:  7.59E+3nMAssay 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
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataKi:  9.33E+3nMAssay 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 3A4(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataIC50: >3.80E+4nMAssay 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
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataIC50: >3.80E+4nMAssay 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 2C9(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataIC50: >3.80E+4nMAssay 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
TargetCytochrome P450 1A2(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataIC50: >3.80E+4nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataIC50:  1.00E+4nMAssay 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 2D6(Homo sapiens (Human))
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192244(CHEMBL3964649 | US10239870, Example 188)
Affinity DataIC50: >3.80E+4nMAssay 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