BDBM50192100 CHEMBL3955505::US10239870, Example 29

SMILES Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C

InChI Key InChIKey=ZIQDGXNDXRMRPM-UHFFFAOYSA-N

Data  8 KI  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50192100   

TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  0.417nMAssay 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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  0.575nMAssay Description:Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  26nMAssay Description:Antagonist activity at human dopamine D2L receptor expressed in CHO cells coexpressing Galpha16 assessed as inhibition of dopamine-induced Ca2+ stimu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetD(3) dopamine receptor(Rat)
Indivior

US Patent
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  74.1nMAssay 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 Depth
Date in BDB:
12/30/2019
Entry Details
US Patent

TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  224nMAssay 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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  324nMAssay Description:Activity at human muscarinic acetylcholine receptor M1 transfected in CHO-K1 cells assessed as intracellular calcium levels in presence of acetylchol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi:  427nMAssay Description:Activity at human muscarinic acetylcholine receptor M3 transfected in CHO-K1 cells assessed as intracellular calcium levels in presence of acetylchol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataIC50: 525nMAssay 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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataIC50: 600nMAssay 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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataKi: <1.00E+4nMAssay 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:
12/30/2019
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataIC50: 1.70E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataIC50: 1.70E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192100(CHEMBL3955505 | US10239870, Example 29)
Affinity DataIC50: 1.70E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed