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BDBM340241 (2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(4-chloro-2,3- dihydro-1H-inden-1-yl)- 4-fluoropyrrolidine-2- carboxamide::US9758537, Compound 44

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCc3c2cccc3Cl)c2ccccc12

InChI Key: InChIKey=SMSDRMCGZJVUAR-ULUIDYOUSA-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 = 340241   
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))
BDBM340241
PNG
((2S,4R)-1-(2-(3-acetyl- 1H-indol-1-yl)acetyl)- N-(...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCc3c2cccc3Cl)c2ccccc12
Show InChI InChI=1S/C26H25ClFN3O3/c1-15(32)20-13-30(23-8-3-2-5-19(20)23)14-25(33)31-12-16(28)11-24(31)26(34)29-22-10-9-17-18(22)6-4-7-21(17)27/h2-8,13,16,22,24H,9-12,14H2,1H3,(H,29,34)/t16-,22?,24+/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