BDBM359574 4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)cyclo- propyl]phenyl}car- bonyl)-6-{[(3R)-3- cyanopyrrolidin-1- yl]carbonyl}-4,5,6,7- tetrahydro-1H- indazol-3-yl]-3- fluorobenzoic acid::US10221142, Example 21NN
SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC[C@H](C2)C#N)c(F)c1
InChI Key: InChIKey=GRYIBTBJXQDVLD-BHWOMJMDSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human)) | BDBM359574 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I... | US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0 | |||||||||||
More data for this Ligand-Target Pair |