BDBM50581659 CHEMBL4519023::US12053473, Example I-13::US20230339952, Comparative Compound A
SMILES COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]1CCOC1
InChI Key InChIKey=XVFDNRYZXDHTHT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 17 hits for monomerid = 50581659
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsome suspension using midazolam substrate incubated for 30 mins by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5nMAssay Description:This assay can be used to examine the potency with which compounds inhibit the protein-protein interaction between SOS1 and KRAS G12D. This demonstra...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 5nMAssay Description:This assay can be used to examine the potency with which compounds inhibit the protein-protein interaction between SOS1 and KRAS G12D. This demonstra...More data for this Ligand-Target Pair
Affinity DataIC50: 4nMAssay Description:This assay can be used to examine the potency with which compounds inhibit the protein-protein interaction between SOS1 and KRAS G12D. This demonstra...More data for this Ligand-Target Pair
Affinity DataIC50: 6nMAssay Description:This assay can be used to examine the potency with which compounds inhibit the protein-protein interaction between SOS1 and KRAS G12D. This demonstra...More data for this Ligand-Target Pair
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
University of Nottingham Ningbo China
Curated by ChEMBL
University of Nottingham Ningbo China
Curated by ChEMBL
Affinity DataIC50: 5nMAssay Description:Inhibition of SOS1/KRAS G12C mutant (unknown origin) protein-protein interactionMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Wuhan University of Science and Technology
Curated by ChEMBL
Wuhan University of Science and Technology
Curated by ChEMBL
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human ERG channel expressed in HEK293 cells clamped at -80 mV stimulated +20 mV for 2 sec followed by repolarized to -50 mV for 5 secs ...More data for this Ligand-Target Pair
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsome suspension using omeprazole substrate incubated for 30 mins by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsome suspension using diclofenac substrate incubated for 30 mins by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 72nMAssay Description:Inhibition of 6His-tagged SOS1 (unknown origin) mediated GST-tagged KRAS G12D activation preincubated for 15 mins followed by KRAS G12D addition and ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsome suspension using dextromethorphan substrate incubated for 30 mins by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsome suspension using amodiaquine substrate incubated for 30 mins by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.61E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsome suspension using phenacetin substrate incubated for 30 mins by LC/MS analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 11nMAssay Description:The assay buffer can contain 5 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 1 mM DTT, 0.05% BSA, 0.0025% (v/v) Igepal and 100 mM KF. A Ras working solut...More data for this Ligand-Target Pair
Affinity DataIC50: 36nMAssay Description:Inhibition of SOS1-mediated proliferation of human DLD-1 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferat...More data for this Ligand-Target Pair
Affinity DataKd: 3nMAssay Description:Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of SOS1-mediated proliferation of human NCI-H520 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D prolife...More data for this Ligand-Target Pair