BindingDB logo
myBDB logout

BDBM303059 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (1-(1-methyl-1H- pyrazol-3-yl)-2- oxopyrrolidin-3- yl)pyrrolidine-2- carboxamide::US10660876, Cmpd No. 64::US9598446, Compound 64

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCN(C2=O)c2ccn(C)n2)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=CUJFHVUQADDZQW-IJMIUMFMSA-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 = 303059   
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))
BDBM303059
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)NC2CCN(C2=O)c2ccn(C)n2)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C29H30FN9O4/c1-17(40)22-14-37(24-4-3-19(10-21(22)24)33-20-11-31-16-32-12-20)15-27(41)39-13-18(30)9-25(39)28(42)34-23-5-8-38(29(23)43)26-6-7-36(2)35-26/h3-4,6-7,10-12,14,16,18,23,25,33H,5,8-9,13,15H2,1-2H3,(H,34,42)/t18-,23?,25+/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))
BDBM303059
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)NC2CCN(C2=O)c2ccn(C)n2)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C29H30FN9O4/c1-17(40)22-14-37(24-4-3-19(10-21(22)24)33-20-11-31-16-32-12-20)15-27(41)39-13-18(30)9-25(39)28(42)34-23-5-8-38(29(23)43)26-6-7-36(2)35-26/h3-4,6-7,10-12,14,16,18,23,25,33H,5,8-9,13,15H2,1-2H3,(H,34,42)/t18-,23?,25+/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