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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 = 'BDBM50238246'   
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))
BDBM50238246
PNG
(CHEMBL4098439)
Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)Nc1cccc(n1)C(F)(F)F)C(=O)Nc1cn(C(N)=O)c2ccccc12 |r|
Show InChI InChI=1S/C22H19F3N6O3/c23-22(24,25)17-6-3-7-18(28-17)29-19(32)16-9-11-8-15(11)31(16)21(34)27-13-10-30(20(26)33)14-5-2-1-4-12(13)14/h1-7,10-11,15-16H,8-9H2,(H2,26,33)(H,27,34)(H,28,29,32)/t11-,15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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))
BDBM50238246
PNG
(CHEMBL4098439)
Show SMILES [H][C@]12C[C@@]1([H])N([C@@H](C2)C(=O)Nc1cccc(n1)C(F)(F)F)C(=O)Nc1cn(C(N)=O)c2ccccc12 |r|
Show InChI InChI=1S/C22H19F3N6O3/c23-22(24,25)17-6-3-7-18(28-17)29-19(32)16-9-11-8-15(11)31(16)21(34)27-13-10-30(20(26)33)14-5-2-1-4-12(13)14/h1-7,10-11,15-16H,8-9H2,(H2,26,33)(H,27,34)(H,28,29,32)/t11-,15-,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of complement factor D in human whole blood assessed as decrease in zymosan-induced AP activation mediated soluble MAC complex formation p...


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