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BDBM340298 1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- ylcarbamoyl)-4- fluoropyrrolidin-1-yl)- 2-oxoethyl)-4-(2- methoxypyrimidin-5- yl)-1H-pyrazole-3- carboxamide::US9758537, Compound 110

SMILES: COc1ncc(cn1)-c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)nc1C(N)=O

InChI Key: InChIKey=RXRCPHWZOYYXSG-ZHRRBRCNSA-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 = 340298   
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))
BDBM340298
PNG
(1-(2-((2S,4R)-2-(2'- chloro-2- fluorobiphenyl-3- y...)
Show SMILES COc1ncc(cn1)-c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(c2F)-c2ccccc2Cl)nc1C(N)=O
Show InChI InChI=1S/C28H24ClF2N7O4/c1-42-28-33-10-15(11-34-28)19-13-37(36-25(19)26(32)40)14-23(39)38-12-16(30)9-22(38)27(41)35-21-8-4-6-18(24(21)31)17-5-2-3-7-20(17)29/h2-8,10-11,13,16,22H,9,12,14H2,1H3,(H2,32,40)(H,35,41)/t16-,22+/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