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BDBM50462091 CHEMBL4241950

SMILES: CC(=O)Oc1ccc(cc1C(O)=O)-c1ccc(OC(C)=O)c(c1)C(O)=O

InChI Key: InChIKey=IDUURQAPJRFELC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50462091   
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 D


(Homo sapiens (Human))
BDBM50462091
PNG
(CHEMBL4241950)
Show SMILES CC(=O)Oc1ccc(cc1C(O)=O)-c1ccc(OC(C)=O)c(c1)C(O)=O
Show InChI InChI=1S/C18H14O8/c1-9(19)25-15-5-3-11(7-13(15)17(21)22)12-4-6-16(26-10(2)20)14(8-12)18(23)24/h3-8H,1-2H3,(H,21,22)(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of factor D in zymogen-activated human serum assessed as decrease in human erythrocyte lysis


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Complement factor D


(Rattus norvegicus)
BDBM50462091
PNG
(CHEMBL4241950)
Show SMILES CC(=O)Oc1ccc(cc1C(O)=O)-c1ccc(OC(C)=O)c(c1)C(O)=O
Show InChI InChI=1S/C18H14O8/c1-9(19)25-15-5-3-11(7-13(15)17(21)22)12-4-6-16(26-10(2)20)14(8-12)18(23)24/h3-8H,1-2H3,(H,21,22)(H,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of factor D in zymogen-activated rat serum assessed as decrease in human erythrocyte lysis


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair