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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 = 'BDBM50236214'   
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))
BDBM50236214
PNG
(CHEMBL4089211)
Show SMILES OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1CC1c1ccccc1
Show InChI InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to factor D (unknown origin) by 19F-NMR spectroscopy


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50236214
PNG
(CHEMBL4089211)
Show SMILES OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1CC1c1ccccc1
Show InChI InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 5.00E+5n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human compl...


J Med Chem 60: 1946-1958 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01684
BindingDB Entry DOI: 10.7270/Q2ZG6VHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)