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BDBM360775 (2S,4R)-1-(2-(3-acetyl-5- ((3-cyano-1H-pyrazol-4- yl)ethynyl)-1H-indol-1- yl)acetyl)-N-(3-chloro-2- fluorobenzyl)-4- fluoropyrrolidine-2- carboxamide::US9828396, Compound 24

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1c[nH]nc1C#N

InChI Key: InChIKey=MMJIDWGXPOQWEY-ZBLYBZFDSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 360775   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM360775
PNG
((2S,4R)-1-(2-(3-acetyl-5- ((3-cyano-1H-pyrazol-4- ...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(cc12)C#Cc1c[nH]nc1C#N
Show InChI InChI=1S/C30H23ClF2N6O3/c1-17(40)23-15-38(26-8-6-18(9-22(23)26)5-7-19-13-36-37-25(19)11-34)16-28(41)39-14-21(32)10-27(39)30(42)35-12-20-3-2-4-24(31)29(20)33/h2-4,6,8-9,13,15,21,27H,10,12,14,16H2,1H3,(H,35,42)(H,36,37)/t21-,27+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals Inc

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 US9828396 (2017)


BindingDB Entry DOI: 10.7270/Q2WM1GQG
More data for this
Ligand-Target Pair