EUB0003003aCl_KDR

Chemical structure of compound EUB0003003aCl
Compound name
Vatalanib
Protein family
Protein Kinase
Target name
KDR
Affinity biochemical (nM)
37
Affinity on-target cellular (nM)
17
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0003003aCl
SMILES
ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C4=C2C=CC=C4)C=C1.[H]Cl.[H]Cl
InChIKey
YCOYDOIWSSHVCK-UHFFFAOYSA-N
NCBI gene ID
3791
UniProt ID
P35968
Synonyms
FLK1, VEGFR, VEGFR2, CD309
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Radiometric filter binding assay (using 8 µM ATP)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/10786682/
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Immunoblot assay (cell-based receptor autophosphorylation assays using HUVECs that naturally express KDR)
Affinity on-target cellular source knowledge
https://pubmed.ncbi.nlm.nih.gov/10786682/
Affinity on-target cellular relation
=
Selectivity platform
Kinase panel (Competition-binding assay)
Selectivity platform number of targets
317
Selectivity remarks
Screened in competition binding assays, in-vitro potency of closest targets: Kd(CSF1R) = 18 nM, Kd(DDR1) = 270 nM, Kd(FLT1) = 9.6 nM, Kd(FLT4) = 330 nM, Kd(KIT) = 5.1 nM, Kd(PDGFRA) = 96 nM, Kd(PDGFRB) = 25 nM, Kd(VEGFR2) = 62 nM, full screening data are available as supporting information, https://www.nature.com/articles/nbt1358;
In-vitro potency (Radiometric assay, using 8 µM ATP): IC50(FLT1) = 77 nM, https://pubmed.ncbi.nlm.nih.gov/10786682/;
In-vitro potency (Radiometric assay, using 8 µM ATP): IC50(FLK) = 270 nM, https://pubmed.ncbi.nlm.nih.gov/10786682/;
In-vitro potency (Radiometric assay, using 8 µM ATP): IC50(FLT4) = 660 nM, https://pubmed.ncbi.nlm.nih.gov/10786682/;
In-vitro potency (Radiometric assay, using 8 µM ATP): IC50(KIT) = 730 nM, https://pubmed.ncbi.nlm.nih.gov/10786682/;
In-vitro potency (Radiometric assay, using 8 µM ATP): IC50(FMS) = 1400 nM, https://pubmed.ncbi.nlm.nih.gov/10786682/;
In-vitro potency (Radiometric assay, using 8 µM ATP): IC50(PDGFRB) = 580 nM, https://pubmed.ncbi.nlm.nih.gov/10786682/;
Selectivity Source Knowledge
https://www.nature.com/articles/nbt1358
Selectivity Number of Off-targets
7