BindingDB logo
myBDB logout

BDBM50161299 (3-Aminooxalyl-1-benzyl-2-ethyl-1,6,7,8-tetrahydro-cyclopenta[g]indol-4-yloxy)-acetic acid::CHEMBL179658

SMILES: CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1

InChI Key: InChIKey=VCUWZUBFYRWFSA-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 = 50161299   
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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50161299
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-1,6,7,8-tetrahydro...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1
Show InChI InChI=1S/C24H24N2O5/c1-2-17-20(23(29)24(25)30)21-18(31-13-19(27)28)11-15-9-6-10-16(15)22(21)26(17)12-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H2,25,30)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human nonpancreatic secretory phospholipase A2


J Med Chem 48: 893-6 (2005)


Article DOI: 10.1021/jm0401309
BindingDB Entry DOI: 10.7270/Q20001M3
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50161299
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-1,6,7,8-tetrahydro...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1
Show InChI InChI=1S/C24H24N2O5/c1-2-17-20(23(29)24(25)30)21-18(31-13-19(27)28)11-15-9-6-10-16(15)22(21)26(17)12-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12-13H2,1H3,(H2,25,30)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human nonpancreatic secretory phospholipase A2


J Med Chem 48: 893-6 (2005)


Article DOI: 10.1021/jm0401309
BindingDB Entry DOI: 10.7270/Q20001M3
More data for this
Ligand-Target Pair