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BDBM303041 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (naphthalen-2- yl)pyrrolidine-2- carboxamide::US10660876, Cmpd No. 46::US9598446, Compound 46

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc3ccccc3c2)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=KLMJCFJJNBKIJW-MNNSJKJDSA-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 = 303041   
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))
BDBM303041
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)Nc2ccc3ccccc3c2)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C31H27FN6O3/c1-19(39)27-16-37(28-9-8-24(12-26(27)28)35-25-13-33-18-34-14-25)17-30(40)38-15-22(32)11-29(38)31(41)36-23-7-6-20-4-2-3-5-21(20)10-23/h2-10,12-14,16,18,22,29,35H,11,15,17H2,1H3,(H,36,41)/t22-,29+/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))
BDBM303041
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)Nc2ccc3ccccc3c2)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C31H27FN6O3/c1-19(39)27-16-37(28-9-8-24(12-26(27)28)35-25-13-33-18-34-14-25)17-30(40)38-15-22(32)11-29(38)31(41)36-23-7-6-20-4-2-3-5-21(20)10-23/h2-10,12-14,16,18,22,29,35H,11,15,17H2,1H3,(H,36,41)/t22-,29+/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