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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Complement factor B' and Ligand = 'BDBM50540314'   
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 B


(Homo sapiens (Human))
BDBM50540314
PNG
(CHEMBL4639592)
Show SMILES CCO[C@H]1CCN(Cc2c(cc(C)c3[nH]ccc23)C2CC2)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H32N2O3/c1-3-32-21-11-13-29(25(15-21)19-6-8-20(9-7-19)27(30)31)16-24-22-10-12-28-26(22)17(2)14-23(24)18-4-5-18/h6-10,12,14,18,21,25,28H,3-5,11,13,15-16H2,1-2H3,(H,30,31)/t21-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human serine protease factor B by TR-FRET based competition binding assay


J Med Chem 63: 5697-5722 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01870
BindingDB Entry DOI: 10.7270/Q21N84P4
More data for this
Ligand-Target Pair
Complement factor B


(Mus musculus)
BDBM50540314
PNG
(CHEMBL4639592)
Show SMILES CCO[C@H]1CCN(Cc2c(cc(C)c3[nH]ccc23)C2CC2)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H32N2O3/c1-3-32-21-11-13-29(25(15-21)19-6-8-20(9-7-19)27(30)31)16-24-22-10-12-28-26(22)17(2)14-23(24)18-4-5-18/h6-10,12,14,18,21,25,28H,3-5,11,13,15-16H2,1-2H3,(H,30,31)/t21-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor B in 50% mouse serum assessed as reduction in C3b deposition pre-incubated for 15 mins before activated zymosan ...


J Med Chem 63: 5697-5722 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01870
BindingDB Entry DOI: 10.7270/Q21N84P4
More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50540314
PNG
(CHEMBL4639592)
Show SMILES CCO[C@H]1CCN(Cc2c(cc(C)c3[nH]ccc23)C2CC2)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C27H32N2O3/c1-3-32-21-11-13-29(25(15-21)19-6-8-20(9-7-19)27(30)31)16-24-22-10-12-28-26(22)17(2)14-23(24)18-4-5-18/h6-10,12,14,18,21,25,28H,3-5,11,13,15-16H2,1-2H3,(H,30,31)/t21-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of serine protease factor B in 50% human whole blood assessed as reduction in alternative pathway-mediated membrane attack complex formati...


J Med Chem 63: 5697-5722 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01870
BindingDB Entry DOI: 10.7270/Q21N84P4
More data for this
Ligand-Target Pair