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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Complement factor D' and Ligand = 'BDBM170904'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM170904
PNG
(US9085555, 332)
Show SMILES NC(=O)n1cc(NC(=O)N2CC(F)(F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H18F5N5O4/c23-21(24)9-17(18(33)29-12-4-3-5-13(8-12)36-22(25,26)27)32(11-21)20(35)30-15-10-31(19(28)34)16-7-2-1-6-14(15)16/h1-8,10,17H,9,11H2,(H2,28,34)(H,29,33)(H,30,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/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))
BDBM170904
PNG
(US9085555, 332)
Show SMILES NC(=O)n1cc(NC(=O)N2CC(F)(F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r|
Show InChI InChI=1S/C22H18F5N5O4/c23-21(24)9-17(18(33)29-12-4-3-5-13(8-12)36-22(25,26)27)32(11-21)20(35)30-15-10-31(19(28)34)16-7-2-1-6-14(15)16/h1-8,10,17H,9,11H2,(H2,28,34)(H,29,33)(H,30,35)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 450n/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