Compound name
640
Protein family
Protein Kinase
Target name
PNCK
Affinity biochemical (nM)
3
Affinity on-target cellular (nM)
8.2
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000878a
SMILES
CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1
InChIKey
BWBUPDTUXQDHSX-AWEZNQCLSA-N
NCBI gene ID
139728
UniProt ID
Q6P2M8
Synonyms
MGC45419, CaMK1b
Mode of action
Inhibitor
Negative control
CS640s
Affinity biochemical definition
IC50
Affinity biochemical assay type
Enzymatic assay (Reaction Biology)
Affinity Biochemical Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
NanoBRET assay (in HEK293T cells)
Affinity on-target cellular source knowledge
https://www.thesgc.org/chemical-probes/cs-640
Affinity on-target cellular relation
=
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
450
Selectivity remarks
Screened at 1 µM, closest targets as % of control: PIP5K1C (0%), MEK5 (0.95%), RIPK4 (4.5%), MLK3 (99%); In-vitro potency of closest targets (enzymatic assay, Reaction Biology): IC50(PIP5K1C) = 11 µM, IC50(MEK5) = 0.025 µM, IC50(RIPK4) = 5.69 µM, IC50(MLK3) = 2.75 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803#; Screened at 10 µM in Eurofins Cerep-Panlabs Safety Screen 44 (GPCRS, Transporters, Ion Channels, Nuclear Receptors, other enzymes), closest targets as % of inhibition or stimulation: dopamine transporter (100%), hERG channel (89%), norepinephrine transporter (87%), M1 (84%), M2(70%), M3(74%), acetylcholinesterase (84%), https://www.thesgc.org/chemical-probes/cs-640;
Selectivity Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b01803