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BDBM302863 (2S,4R)-1-(2-(N-(3- acetyl-1-(2-((2S,4R)- 2-(3-chloro-2- fluorobenzyl- carbamoyl)- 4-fluoropyrrolidin- 1-yl)-2-oxoethyl)-1H- indol-6- yl)methylsulfonamido) acetyl)-N-(3-chloro- 2-fluorobenzyl)-4- fluoropyrrolidine-2- carboxamide::US10660876, Cmpd No. 1::US9598446, Compound 1

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)N(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)S(C)(=O)=O

InChI Key: InChIKey=ITRSBQLGALZVHQ-DLKXRSBVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 302863   
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))
BDBM302863
PNG
((2S,4R)-1-(2-(N-(3- acetyl-1-(2-((2S,4R)- 2-(3-chl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)N(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)S(C)(=O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
Show InChI InChI=1S/C39H38Cl2F4N6O7S/c1-21(52)28-18-48(19-34(53)49-16-24(42)11-32(49)38(55)46-14-22-5-3-7-29(40)36(22)44)31-13-26(9-10-27(28)31)51(59(2,57)58)20-35(54)50-17-25(43)12-33(50)39(56)47-15-23-6-4-8-30(41)37(23)45/h3-10,13,18,24-25,32-33H,11-12,14-17,19-20H2,1-2H3,(H,46,55)(H,47,56)/t24-,25-,32+,33+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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))
BDBM302863
PNG
((2S,4R)-1-(2-(N-(3- acetyl-1-(2-((2S,4R)- 2-(3-chl...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(ccc12)N(CC(=O)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)S(C)(=O)=O |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
Show InChI InChI=1S/C39H38Cl2F4N6O7S/c1-21(52)28-18-48(19-34(53)49-16-24(42)11-32(49)38(55)46-14-22-5-3-7-29(40)36(22)44)31-13-26(9-10-27(28)31)51(59(2,57)58)20-35(54)50-17-25(43)12-33(50)39(56)47-15-23-6-4-8-30(41)37(23)45/h3-10,13,18,24-25,32-33H,11-12,14-17,19-20H2,1-2H3,(H,46,55)(H,47,56)/t24-,25-,32+,33+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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