BindingDB logo
myBDB logout

BDBM340306 N-(1-(3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2- ylcarbamoyl)-4- fluoropyrrolidin-1-yl)- 2-oxoethyl)-1H-indol-5- yl)cyclopropyl)pyrimidine- 2-carboxamide::US9758537, Compound 119

SMILES: CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C1(CC1)NC(=O)c1ncccn1

InChI Key: InChIKey=JGNBNQVQRKHMCW-XXBNENTESA-N

Data: 1 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 1 hit for monomerid = 340306   
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
Factor D


(Homo sapiens (Human))
BDBM340306
PNG
(N-(1-(3-acetyl-1-(2- ((2S,4R)-2-(6- bromopyridin-2...)
Show SMILES CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(cc12)C1(CC1)NC(=O)c1ncccn1
Show InChI InChI=1S/C30H27BrFN7O4/c1-17(40)21-15-38(16-26(41)39-14-19(32)13-23(39)28(42)36-25-5-2-4-24(31)35-25)22-7-6-18(12-20(21)22)30(8-9-30)37-29(43)27-33-10-3-11-34-27/h2-7,10-12,15,19,23H,8-9,13-14,16H2,1H3,(H,37,43)(H,35,36,42)/t19-,23+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals

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 US9758537 (2017)

More data for this
Ligand-Target Pair