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BDBM303058 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (1-(2-fluoro-5- methylphenyl)-2- oxopiperidin-3- yl)pyrrolidine-2- carboxamide::US10660876, Cmpd No. 63::US9598446, Compound 63

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2=O)c2cc(C)ccc2F)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=NCZJJJKTTOBGNN-MNOFBEFESA-N

Data: 2 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 2 hits for monomerid = 303058   
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
Complement factor D


(Homo sapiens (Human))
BDBM303058
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2=O)c2cc(C)ccc2F)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C33H33F2N7O4/c1-19-5-7-26(35)29(10-19)41-9-3-4-27(33(41)46)39-32(45)30-11-21(34)15-42(30)31(44)17-40-16-25(20(2)43)24-12-22(6-8-28(24)40)38-23-13-36-18-37-14-23/h5-8,10,12-14,16,18,21,27,30,38H,3-4,9,11,15,17H2,1-2H3,(H,39,45)/t21-,27?,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US10660876 (2020)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM303058
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2=O)c2cc(C)ccc2F)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C33H33F2N7O4/c1-19-5-7-26(35)29(10-19)41-9-3-4-27(33(41)46)39-32(45)30-11-21(34)15-42(30)31(44)17-40-16-25(20(2)43)24-12-22(6-8-28(24)40)38-23-13-36-18-37-14-23/h5-8,10,12-14,16,18,21,27,30,38H,3-4,9,11,15,17H2,1-2H3,(H,39,45)/t21-,27?,30+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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 US9598446 (2017)


BindingDB Entry DOI: 10.7270/Q2ST7RWF
More data for this
Ligand-Target Pair