Compound name
BAY-784
Protein family
GPCR
Target name
GNRHR
Affinity biochemical (nM)
27
Affinity on-target cellular (nM)
21
CG-Set
GPCR set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000347a
SMILES
C1CC1[C@H]1C2(CCS(CC2)(=O)=O)c2cc(ccc2N1S(c1ccc(cc1)F)(=O)=O)C(NCc1c(cc(cn1)C(F)(F)F)[Cl])=O
InChIKey
PZGSYNNVPNLHQG-SANMLTNESA-N
NCBI gene ID
2798
UniProt ID
P30968
Synonyms
LHRHR
Mode of action
Antagonist
Negative control
BAY-786
Affinity biochemical definition
IC50
Affinity biochemical assay type
Tag Lite binding assay (human GnRH-R binding)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.0c01076
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-784
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Mechanistic biochemical IP1 assay (CHO cells stably expressing human GnRH-R, snythetic agonist Buserelin at EC80)
Affinity on-target cellular relation
=
Selectivity platform
GPCR panel (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest target: Ki(TMEM97) = 1107.9 nM; Screened against 122 enzymes, receptors, transporters and ion channels (Leadprofiling screen, Ricerca) at 10 µM, closest targets: IC50(MAPK3) = 4.87 µM, IC50(MAPK14) = 10.7 µM, IC50(CNR1) = 3.44 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % contr.: CDK5 (0%), CLK4 (0%), MAP3K13(0%), PRKAA1(39%)
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-784
Selectivity Number of Off-targets
0