BDBM50154843 CHEMBL3775226::US10273244, Example 17::US10584135, Example 17

SMILES Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2F)C(F)(F)F)n1C

InChI Key InChIKey=YTXILLIRPDSLHZ-UHFFFAOYSA-N

Data  14 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50154843   

TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  1.26nMAssay Description:Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  1.60nMAssay Description:Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by [35S]GTP-gamma-S binding assay in presence of 3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  2.04nMAssay Description:3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2020
Entry Details
US Patent

TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  2.04nMAssay Description:[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2020
Entry Details
US Patent

TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  5.01nMAssay Description:Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  50nMAssay Description:Antagonist activity at human dopamine D2L receptor expressed in CHO cells assessed as inhibition of dopamine-mediated Ca+2 stimulation pretreated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  63nMAssay Description:Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  63.1nMAssay Description:Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  91.2nMAssay Description:CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were seeded into b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2020
Entry Details
US Patent

TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  91.2nMAssay Description:Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2020
Entry Details
US Patent

TargetMuscarinic acetylcholine receptor M1(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  110nMAssay Description:Antagonist activity at recombinant human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 199nMAssay Description:Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  245nMAssay Description:Antagonist activity at recombinant human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 398nMAssay Description:Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 398nMAssay Description:Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataKi:  1.58E+3nMAssay Description:Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50154843(CHEMBL3775226 | US10273244, Example 17 | US1058413...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of recombinant human CYP2C19 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2017
Entry Details Article
PubMed