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BDBM170586 US9085555, 11

SMILES: NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccc(Cl)s2)c2ccccc12

InChI Key: InChIKey=XXEUIVFJKGLNOA-BZNIZROVSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 170586   
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))
BDBM170586
PNG
(US9085555, 11)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2ccc(Cl)s2)c2ccccc12 |r|
Show InChI InChI=1S/C20H19ClFN5O3S/c21-17-6-5-12(31-17)8-24-18(28)16-7-11(22)9-27(16)20(30)25-14-10-26(19(23)29)15-4-2-1-3-13(14)15/h1-6,10-11,16H,7-9H2,(H2,23,29)(H,24,28)(H,25,30)/t11-,16+/m1/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/a7.525



NOVARTIS AG

US Patent


Assay Description
Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at vario...


US Patent US9085555 (2015)


BindingDB Entry DOI: 10.7270/Q2RN36MP
More data for this
Ligand-Target Pair