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BDBM340287 (2S,4R)-1-(2-(3-acetyl- 4-methoxy-1H-indol-1- yl)acetyl)-N-(2'-chloro- 2-fluorobiphenyl-3-yl)- 4-fluoropyrrolidine-2- carboxamide::US9758537, Compound 96

SMILES: COc1cccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c12

InChI Key: InChIKey=OMSJSLDUBURBGA-CJAUYULYSA-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 = 340287   
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))
BDBM340287
PNG
((2S,4R)-1-(2-(3-acetyl- 4-methoxy-1H-indol-1- yl)a...)
Show SMILES COc1cccc2n(CC(=O)N3C[C@H](F)C[C@H]3C(=O)Nc3cccc(c3F)-c3ccccc3Cl)cc(C(C)=O)c12
Show InChI InChI=1S/C30H26ClF2N3O4/c1-17(37)21-15-35(24-11-6-12-26(40-2)28(21)24)16-27(38)36-14-18(32)13-25(36)30(39)34-23-10-5-8-20(29(23)33)19-7-3-4-9-22(19)31/h3-12,15,18,25H,13-14,16H2,1-2H3,(H,34,39)/t18-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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