BDBM50192030 CHEMBL3970323::US10239870, Example 289

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O

InChI Key InChIKey=XUTJSHVGYIHURB-UHFFFAOYSA-N

Data  9 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 15 hits for monomerid = 50192030   

TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  0.468nMAssay 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(Rat)
Indivior

US Patent
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  0.468nMAssay 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(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  0.562nMAssay 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
TargetMuscarinic acetylcholine receptor M1(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  263nMAssay 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
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  339nMAssay 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
TargetMuscarinic acetylcholine receptor M3(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  380nMAssay 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
TargetD(2) dopamine receptor(Human)
Indivior

US Patent
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  550nMAssay 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 Depth
Date in BDB:
12/30/2019
Entry Details
US Patent

TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  631nMAssay 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
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataIC50: 2.82E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed
TargetD(4) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192030(CHEMBL3970323 | US10239870, Example 289)
Affinity DataKi:  5.89E+3nMAssay Description:Activity at dopamine D4 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed