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SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2noc(n2)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=YBRRPQXZTADARY-NSYGIPOTSA-N

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 = 303057   
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))
BDBM303057
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2noc(n2)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C29H24ClFN8O4/c1-16(40)22-13-38(24-7-6-18(9-21(22)24)34-19-10-32-15-33-11-19)14-26(41)39-12-17(31)8-25(39)27(42)35-29-36-28(43-37-29)20-4-2-3-5-23(20)30/h2-7,9-11,13,15,17,25,34H,8,12,14H2,1H3,(H,35,37,42)/t17-,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))
BDBM303057
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2noc(n2)-c2ccccc2Cl)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C29H24ClFN8O4/c1-16(40)22-13-38(24-7-6-18(9-21(22)24)34-19-10-32-15-33-11-19)14-26(41)39-12-17(31)8-25(39)27(42)35-29-36-28(43-37-29)20-4-2-3-5-23(20)30/h2-7,9-11,13,15,17,25,34H,8,12,14H2,1H3,(H,35,37,42)/t17-,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