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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 = 'BDBM50540311'   
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))
BDBM50540311
PNG
(CHEMBL4646504)
Show SMILES CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H28N2O3/c1-15-12-16(2)23-20(8-10-25-23)21(15)14-26-11-9-19(29-3)13-22(26)17-4-6-18(7-5-17)24(27)28/h4-8,10,12,19,22,25H,9,11,13-14H2,1-3H3,(H,27,28)/t19-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/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


(Homo sapiens (Human))
BDBM50540311
PNG
(CHEMBL4646504)
Show SMILES CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H28N2O3/c1-15-12-16(2)23-20(8-10-25-23)21(15)14-26-11-9-19(29-3)13-22(26)17-4-6-18(7-5-17)24(27)28/h4-8,10,12,19,22,25H,9,11,13-14H2,1-3H3,(H,27,28)/t19-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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
Complement factor B


(Mus musculus)
BDBM50540311
PNG
(CHEMBL4646504)
Show SMILES CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C24H28N2O3/c1-15-12-16(2)23-20(8-10-25-23)21(15)14-26-11-9-19(29-3)13-22(26)17-4-6-18(7-5-17)24(27)28/h4-8,10,12,19,22,25H,9,11,13-14H2,1-3H3,(H,27,28)/t19-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/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