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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 = 'BDBM50330772'   
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))
BDBM50330772
PNG
(CHEMBL4166600)
Show SMILES NCc1cccc(c1)-c1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H20N2O/c22-14-17-8-4-9-18(12-17)19-10-5-11-20(13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,14-15,22H2,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+5n/an/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
Complement factor D


(Homo sapiens (Human))
BDBM50330772
PNG
(CHEMBL4166600)
Show SMILES NCc1cccc(c1)-c1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H20N2O/c22-14-17-8-4-9-18(12-17)19-10-5-11-20(13-19)21(24)23-15-16-6-2-1-3-7-16/h1-13H,14-15,22H2,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.00E+4n/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