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BDBM303015 (2S,4R)-1-(2-(3- acetyl-5-(pyrimidin-5- ylamino)-1H-indol-1- yl)acetyl)-4-fluoro-N- (4-fluoro-3-(6,7,8,9- tetrahydro-5H- [1,2,4]triazolo[4,3- a]azepin-3- yl)phenyl)pyrrolidine- 2-carboxamide::US10660876, Cmpd No. 26::US9598446, Compound 26

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2ccc(F)c(c2)-c2nnc3CCCCCn23)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=UFEWSPZTKCPRSJ-DFXYEROKSA-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 = 303015   
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))
BDBM303015
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)Nc2ccc(F)c(c2)-c2nnc3CCCCCn23)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C34H33F2N9O3/c1-20(46)27-17-43(29-9-7-22(12-25(27)29)39-24-14-37-19-38-15-24)18-32(47)45-16-21(35)11-30(45)34(48)40-23-6-8-28(36)26(13-23)33-42-41-31-5-3-2-4-10-44(31)33/h6-9,12-15,17,19,21,30,39H,2-5,10-11,16,18H2,1H3,(H,40,48)/t21-,30+/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))
BDBM303015
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)Nc2ccc(F)c(c2)-c2nnc3CCCCCn23)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C34H33F2N9O3/c1-20(46)27-17-43(29-9-7-22(12-25(27)29)39-24-14-37-19-38-15-24)18-32(47)45-16-21(35)11-30(45)34(48)40-23-6-8-28(36)26(13-23)33-42-41-31-5-3-2-4-10-44(31)33/h6-9,12-15,17,19,21,30,39H,2-5,10-11,16,18H2,1H3,(H,40,48)/t21-,30+/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