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BDBM302945 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- methylpyrrolidine-2- carboxamide::US10660876, Cmpd No. 20::US9598446, Compound 20

SMILES: CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12

InChI Key: InChIKey=LKCHOVQRWROKNT-VLIAUNLRSA-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 = 302945   
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))
BDBM302945
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 |r|
Show InChI InChI=1S/C22H23FN6O3/c1-13(30)18-10-28(11-21(31)29-9-14(23)5-20(29)22(32)24-2)19-4-3-15(6-17(18)19)27-16-7-25-12-26-8-16/h3-4,6-8,10,12,14,20,27H,5,9,11H2,1-2H3,(H,24,32)/t14-,20+/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))
BDBM302945
PNG
((2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1...)
Show SMILES CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 |r|
Show InChI InChI=1S/C22H23FN6O3/c1-13(30)18-10-28(11-21(31)29-9-14(23)5-20(29)22(32)24-2)19-4-3-15(6-17(18)19)27-16-7-25-12-26-8-16/h3-4,6-8,10,12,14,20,27H,5,9,11H2,1-2H3,(H,24,32)/t14-,20+/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