BDBM50192025 CHEMBL3964512

SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CCC(=O)N=C1

InChI Key InChIKey=XJTVRXYTOLNCDQ-UHFFFAOYSA-N

Data  6 KI  7 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 = 50192025   

TargetD(3) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataKi:  2.19nMAssay 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
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataKi:  2.20nMAssay 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(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataKi:  338nMAssay 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
TargetD(2) dopamine receptor(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataKi:  339nMAssay 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
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataKi:  490nMAssay 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
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataKi:  631nMAssay 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
TargetCytochrome P450 2D6(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataIC50: 5.00E+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 2C19(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataIC50: 5.00E+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 3A4(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataIC50: 5.00E+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
TargetCytochrome P450 1A2(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataIC50: 5.00E+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 2C9(Human)
Aptuit

Curated by ChEMBL
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataIC50: 5.00E+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
LigandPNGBDBM50192025(CHEMBL3964512)
Affinity DataIC50: 9.55E+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
LigandPNGBDBM50192025(CHEMBL3964512)
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 Depth
Date in BDB:
6/27/2018
Entry Details Article
PubMed