BDBM50579985 JDQ-443::JDQ443::Jdq 443::Jdq-443::Nvp-jdq-443::US11702409, Example 1b

SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12

InChI Key InChIKey=AZUYLZMQTIKGSC-UHFFFAOYSA-N

Data  11 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 11 hits for monomerid = 50579985   

TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetGTPase KRas [G12C](Human)
Novartis

US Patent
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 17nMAssay Description:Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal (no inhibition) control, and contained D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

TargetGTPase KRas [G12C](Human)
Novartis

US Patent
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 444nMAssay Description:Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal (no inhibition) control, and contained D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 20nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 6 hrs by MSD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 6.23E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 10 to 30 mins in presence of NADPH by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 to 30 mins in presence of NADPH by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 3.74E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 to 30 mins in presence of NADPH by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of human ERG by manual patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Cav1.2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50579985(Jdq 443 | Jdq-443 | Nvp-jdq-443 | JDQ443 | JDQ-443...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed