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BDBM340313 (2S,4R)-1-(2-(3- carbamoyl-1H- pyrazolo[3,4-c]pyridin- 1-yl)acetyl)-4- fluoropyrrolidine-2- carboxamide, N-(3- chloro-2- fluorophenylmethyl-d2)::US9758537, Compound 128

SMILES: NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12

InChI Key: InChIKey=OJYIIQKMGVNXSP-DOMZBBRYSA-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 = 340313   
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))
BDBM340313
PNG
((2S,4R)-1-(2-(3- carbamoyl-1H- pyrazolo[3,4-c]pyri...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12
Show InChI InChI=1S/C21H19ClF2N6O3/c22-14-3-1-2-11(18(14)24)7-27-21(33)15-6-12(23)9-29(15)17(31)10-30-16-8-26-5-4-13(16)19(28-30)20(25)32/h1-5,8,12,15H,6-7,9-10H2,(H2,25,32)(H,27,33)/t12-,15+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm0303857
BindingDB Entry DOI: 10.7270/Q2C53NZ9
More data for this
Ligand-Target Pair