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BDBM170796 US9085555, 224

SMILES: NC(=O)n1cc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12

InChI Key: InChIKey=PFNAXJGGZUYQGP-SGTLLEGYSA-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 = 170796   
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))
BDBM170796
PNG
(US9085555, 224)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant human complement factor D catalytic domain using Z-Lys-thiobenzylester as substrate preincubated for 1 hr followed by subst...


J Med Chem 60: 5717-5735 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00425
BindingDB Entry DOI: 10.7270/Q2TB195V
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM170796
PNG
(US9085555, 224)
Show SMILES NC(=O)n1cc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 700n/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