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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 = 'BDBM50331097'   
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))
BDBM50331097
PNG
(CHEMBL4168539)
Show SMILES NCc1cccc(c1)-c1cccc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O/c22-15-17-8-4-9-18(12-17)19-10-5-11-20(14-19)23-21(24)13-16-6-2-1-3-7-16/h1-12,14H,13,15,22H2,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of recombinant complement factor D catalytic domain (unknown origin) using Z-Lys-thiobenzyl as substrate pretreated for 1 hr followed by s...


ACS Med Chem Lett 9: 490-495 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00104
BindingDB Entry DOI: 10.7270/Q2K35X6P
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM50331097
PNG
(CHEMBL4168539)
Show SMILES NCc1cccc(c1)-c1cccc(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O/c22-15-17-8-4-9-18(12-17)19-10-5-11-20(14-19)23-21(24)13-16-6-2-1-3-7-16/h1-12,14H,13,15,22H2,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.00E+5n/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Displacement of 19F[(S)-methyl 2-((2-(3-(trifluoromethoxy)phenylcarbamoyl)pyrrolidine-1-carboxamido)methyl)benzoate] from complement factor D (unknow...


ACS Med Chem Lett 9: 490-495 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00104
BindingDB Entry DOI: 10.7270/Q2K35X6P
More data for this
Ligand-Target Pair