BindingDB logo
myBDB logout

BDBM50519950 CHEMBL4578212

SMILES: OC(=O)c1ccc(Br)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F

InChI Key: InChIKey=ARGCZAMLVSKEHU-UHFFFAOYSA-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 = 50519950   
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
Interleukin-1 receptor antagonist protein


(Mus musculus)
BDBM50519950
PNG
(CHEMBL4578212)
Show SMILES OC(=O)c1ccc(Br)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H18BrF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate meas...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50519950
PNG
(CHEMBL4578212)
Show SMILES OC(=O)c1ccc(Br)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H18BrF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrat...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50519950
PNG
(CHEMBL4578212)
Show SMILES OC(=O)c1ccc(Br)c(c1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C19H18BrF3N2O4S/c20-14-6-4-12(18(26)27)10-17(14)30(28,29)24-15-11-13(19(21,22)23)5-7-16(15)25-8-2-1-3-9-25/h4-7,10-11,24H,1-3,8-9H2,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Kansas University Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-AMC as substrate mea...


J Med Chem 63: 103-121 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00293
More data for this
Ligand-Target Pair