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BDBM340226 (2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(3-chloro-2- fluorobenzyl)-4-(7- methoxy-2- phenylquinolin-4- yloxy)pyrrolidine-2- carboxamide::US9758537, Compound 29

SMILES: COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)Cn3cc(C(C)=O)c4ccccc34)C(=O)NCc3cccc(Cl)c3F)cc(nc2c1)-c1ccccc1

InChI Key: InChIKey=AQJOUGULCGKVEK-OCKRADGESA-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 = 340226   
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))
BDBM340226
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)Cn3cc(C(C)=O)c4ccccc34)C(=O)NCc3cccc(Cl)c3F)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C40H34ClFN4O5/c1-24(47)31-22-45(35-14-7-6-12-29(31)35)23-38(48)46-21-28(18-36(46)40(49)43-20-26-11-8-13-32(41)39(26)42)51-37-19-33(25-9-4-3-5-10-25)44-34-17-27(50-2)15-16-30(34)37/h3-17,19,22,28,36H,18,20-21,23H2,1-2H3,(H,43,49)/t28-,36+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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