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BDBM303037 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (1-(1-methyl-1H- pyrazol-4- yl)piperidin-3- yl)pyrrolidine-2- carboxamide::US10660876, Cmpd No. 42::US9598446, Compound 42

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2CCCN(C2)c2cnn(C)c2)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=MWQHZUNYDRLVBN-YOBMCTMISA-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 = 303037   
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))
BDBM303037
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)c2cnn(C)c2)c2ccc(Nc3cncnc3)cc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C30H34FN9O3/c1-19(41)26-16-39(27-6-5-21(9-25(26)27)35-23-10-32-18-33-11-23)17-29(42)40-13-20(31)8-28(40)30(43)36-22-4-3-7-38(14-22)24-12-34-37(2)15-24/h5-6,9-12,15-16,18,20,22,28,35H,3-4,7-8,13-14,17H2,1-2H3,(H,36,43)/t20-,22?,28+/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))
BDBM303037
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)c2cnn(C)c2)c2ccc(Nc3cncnc3)cc12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$|
Show InChI InChI=1S/C30H34FN9O3/c1-19(41)26-16-39(27-6-5-21(9-25(26)27)35-23-10-32-18-33-11-23)17-29(42)40-13-20(31)8-28(40)30(43)36-22-4-3-7-38(14-22)24-12-34-37(2)15-24/h5-6,9-12,15-16,18,20,22,28,35H,3-4,7-8,13-14,17H2,1-2H3,(H,36,43)/t20-,22?,28+/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