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BDBM340245 (2S,4R)-1-(2-(3-acetyl- 6-hydroxy-1H-indol-1- yl)acetyl)-4-fluoro-N-(3- (trifluoromethylthio) phenyl)pyrrolidine-2- carboxamide::US9758537, Compound 48

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)c2cc(O)ccc12

InChI Key: InChIKey=UJMFYZZOVPLNTR-SZNDQCEHSA-N

Data: 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 1 hit for monomerid = 340245   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Factor D


(Homo sapiens (Human))
BDBM340245
PNG
((2S,4R)-1-(2-(3-acetyl- 6-hydroxy-1H-indol-1- yl)a...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(SC(F)(F)F)c2)c2cc(O)ccc12
Show InChI InChI=1S/C24H21F4N3O4S/c1-13(32)19-11-30(20-9-16(33)5-6-18(19)20)12-22(34)31-10-14(25)7-21(31)23(35)29-15-3-2-4-17(8-15)36-24(26,27)28/h2-6,8-9,11,14,21,33H,7,10,12H2,1H3,(H,29,35)/t14-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9758537 (2017)

More data for this
Ligand-Target Pair