BDBM457084 (2S,3R)-2,3-dihydroxy-3-(6-(5- (4-(trifluoromethyl)phenyl)- 3,4-dihydroisoquinolin-2(1H)- yl)pyridin-2-yl)propanamide::US10738026, Compound 26

SMILES: NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)N1CCc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=FFFYSIINVOIAJZ-YADHBBJMSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 457084   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM457084 ((2S,3R)-2,3-dihydroxy-3-(6-(5- (4-(trifluoromethyl...) Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)N1CCc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)16-9-7-14(8-10-16)17-4-1-3-15-13-30(12-11-18(15)17)20-6-2-5-19(29-20)21(31)22(32)23(28)33/h1-10,21-22,31-32H,11-13H2,(H2,28,33)/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description On the day of experimentation, cells are prepared by removing media and digesting with appropriate enzymes to suspend cells in external solution.Whol...				US Patent US10738026 (2020)
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM457084 ((2S,3R)-2,3-dihydroxy-3-(6-(5- (4-(trifluoromethyl...) Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)N1CCc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F3N3O3/c25-24(26,27)16-9-7-14(8-10-16)17-4-1-3-15-13-30(12-11-18(15)17)20-6-2-5-19(29-20)21(31)22(32)23(28)33/h1-10,21-22,31-32H,11-13H2,(H2,28,33)/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...				US Patent US10738026 (2020)
					More data for this Ligand-Target Pair