BindingDB logo
myBDB logout

BDBM50540313 CHEMBL4644208

SMILES: CCO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=NHSANTONQVVKKW-REWPJTCUSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50540313   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor B


(Homo sapiens (Human))
BDBM50540313
PNG
(CHEMBL4644208)
Show SMILES CCO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O3/c1-4-30-20-10-12-27(23(14-20)18-5-7-19(8-6-18)25(28)29)15-22-16(2)13-17(3)24-21(22)9-11-26-24/h5-9,11,13,20,23,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t20-,23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 18n/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)

More data for this
Ligand-Target Pair
Complement factor B


(Mus musculus)
BDBM50540313
PNG
(CHEMBL4644208)
Show SMILES CCO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O3/c1-4-30-20-10-12-27(23(14-20)18-5-7-19(8-6-18)25(28)29)15-22-16(2)13-17(3)24-21(22)9-11-26-24/h5-9,11,13,20,23,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t20-,23-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/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)

More data for this
Ligand-Target Pair
Complement factor B


(Homo sapiens (Human))
BDBM50540313
PNG
(CHEMBL4644208)
Show SMILES CCO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@@H](C1)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O3/c1-4-30-20-10-12-27(23(14-20)18-5-7-19(8-6-18)25(28)29)15-22-16(2)13-17(3)24-21(22)9-11-26-24/h5-9,11,13,20,23,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t20-,23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/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)

More data for this
Ligand-Target Pair