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BDBM50533144 CHEMBL4593955

SMILES: Cc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1

InChI Key: InChIKey=ZVSMGINEHJBHCI-MUFRIFMGSA-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 = 50533144   
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
Aminopeptidase


(Homo sapiens (Human))
BDBM50533144
PNG
(CHEMBL4593955)
Show SMILES Cc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H23N5O2/c1-18-6-8-19(9-7-18)17-34-22-12-10-20(11-13-22)25-14-26(31-30-25)27(33)32-29-16-21-15-28-24-5-3-2-4-23(21)24/h2-16,28H,17H2,1H3,(H,30,31)(H,32,33)/b29-16+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...


ACS Med Chem Lett 7: 681-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00084
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50533144
PNG
(CHEMBL4593955)
Show SMILES Cc1ccc(COc2ccc(cc2)-c2cc([nH]n2)C(=O)N\N=C\c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C27H23N5O2/c1-18-6-8-19(9-7-18)17-34-22-12-10-20(11-13-22)25-14-26(31-30-25)27(33)32-29-16-21-15-28-24-5-3-2-4-23(21)24/h2-16,28H,17H2,1H3,(H,30,31)(H,32,33)/b29-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate a...


ACS Med Chem Lett 7: 681-5 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00084
More data for this
Ligand-Target Pair