BDBM50158688 CHEMBL3752911

SMILES c1ccc(c(c1)C(=O)/C=C/N2C[C@H]3C[C@@H]2CN3c4ccccn4)O

InChI Key InChIKey=INAICWLVUAKEPB-UHFFFAOYSA-N

Data  2 IC50  12 Kd  6 EC50

PDB links: 2 PDB IDs match this monomer.

  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 20 hits for monomerid = 50158688   

TargetProtein polybromo-1(Human)
Constellation, A Morphosys

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  5.80E+3nMAssay Description:Binding affinity to human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetOxysterols receptor LXR-beta(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at LXRbeta in GeneBLAzer LXRbeta-UAS-bla HEK 293T cells preincubated with compound for 16 to 24 hrs followed by substrate addition a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at LXRalpha in GeneBLAzer LXRalpha-UAS-bla HEK 293T cells preincubated with compound for 16 to 24 hrs followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataEC50: >2.00E+4nMAssay Description:Binding affinity to RXR alpha (unknown origin) by Lanthascreen TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetOxysterols receptor LXR-beta(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataEC50: >2.00E+4nMAssay Description:Binding affinity to LXRbeta (unknown origin) by Lanthascreen TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetOxysterols receptor LXR-alpha(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataEC50: >2.00E+4nMAssay Description:Binding affinity to LXR alpha (unknown origin) by Lanthascreen TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at PXR (unknown origin) by cellular reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataIC50: 1.80E+4nMAssay Description:Binding affinity to PXR (unknown origin) by Lanthascreen TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTranscription activator BRG1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  9.70E+4nMAssay Description:Binding affinity to SMARCA4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetProbable global transcription activator SNF2L2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  81nMAssay Description:Binding affinity to SMARCA2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetProtein polybromo-1(Human)
Constellation, A Morphosys

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  48nMAssay Description:Binding affinity to PB1 bromodomain5 (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2017
Entry Details Article
PubMed
TargetProtein polybromo-1(Human)
Constellation, A Morphosys

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  25nMAssay Description:Binding affinity to human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetProbable global transcription activator SNF2L2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  18nMAssay Description:Binding affinity to human SMARCA2 (S1337 to Q1486 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTranscription activator BRG1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  21nMAssay Description:Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by bromoscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Constellation, A Morphosys

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetTranscription activator BRG1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  89nMAssay Description:Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorime...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein polybromo-1(Human)
Constellation, A Morphosys

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  48nMAssay Description:Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microca...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2017
Entry Details Article
PubMed
TargetTranscription activator BRG1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd: <100nMAssay Description:Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein polybromo-1(Human)
Constellation, A Morphosys

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd: <100nMAssay Description:Binding affinity to human PB1 isoform 5 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2017
Entry Details Article
PubMed
TargetTranscription activator BRG1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50158688(CHEMBL3752911)
Affinity DataKd:  89nMAssay Description:Binding affinity to SMARCA4 (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)