BDBM300969 BDBM300970::N-(1-(3- fluoropropyl) azetidin-3-yl)-6- ((6S,8R)-6- deuterio-8- methyl-7- (2,2,2- trifluoroethyl)- 6,7,8,9- tetrahydro-3H- pyrazolo[4,3- f]isoquinolin- 6-yl)pyridin-3- amine::US10131663, Example 35::US10590130, Example 32::US10961241, Example 17::US10961241, Example 36::US20240217988, Example AZD9833

SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1

InChI Key InChIKey=WDHOIABIERMLGY-UHFFFAOYSA-N

Data  29 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 300969   

TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor [282-595](Homo sapiens (Human))
Shenzhen Forward Pharmaceuticals Co.

US Patent
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 62nMAssay Description:1x Tris-HCl (Sigma, PHG0002) protein buffer was prepared and mixed for later use. The compound to be detected was prepared into a stock solution with...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2024
Entry Details
Go to US Patent

TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataEC50: <1nMAssay Description:Induction of ERalpha degradation in human MCF7More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 0.158nMAssay Description:Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.5nMAssay Description:Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.5nMAssay Description:Displacement of fluormone ES2 green reagent from human GST-tagged ERalpha LBD (282 to 595 residues) expressed in baculovirus infected insect cells in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 0.158nMAssay Description:Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of human ERG by plate-based planar patch clamp techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 330nMAssay Description:Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells after 10 mins by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 0.158nMAssay Description:Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 316nMAssay Description:Agonist activity at ERalpha in human MCF7 cells assessed as increase in progesterone receptor expression level by western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 0.126nMAssay Description:Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of cycloheximide by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 6.30nMAssay Description:Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of tamoxifen by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.5nMAssay Description:The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent

TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetEstrogen receptor [307-554](Human)
Astrazeneca

US Patent
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.80nMAssay Description:The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
Go to US Patent

TargetEstrogen receptor [307-554](Human)
Astrazeneca

US Patent
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.5nMAssay Description:The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
Go to US Patent

TargetEstrogen receptor [307-554](Human)
Astrazeneca

US Patent
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.40nMAssay Description:The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
Go to US Patent

TargetEstrogen receptor [307-554](Human)
Astrazeneca

US Patent
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.40E+4nMAssay Description:ER: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

TargetEstrogen receptor [307-554](Human)
Astrazeneca

US Patent
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.20E+4nMAssay Description:ER: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.80nMAssay Description:hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.5nMAssay Description:hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.10nMAssay Description:hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 2.40nMAssay Description:hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 0.120nMAssay Description:The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent

TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 1.80nMAssay Description:The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent

TargetEstrogen receptor(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM300969(US10961241, Example 36 | BDBM300970 | US10961241, ...)
Affinity DataIC50: 0.170nMAssay Description:The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent