BindingDB logo
myBDB logout

BDBM50055291 4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-butyric acid::CHEMBL356752

SMILES: Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1

InChI Key: InChIKey=STENXUCYNKOBHJ-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50055291   
Target
(Institution)
LigandTarget
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))
BDBM50055291
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 152n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human non-pancreatic secretory phospholipase A2 (PLA2) in a chromogenic assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50055291
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 6.90E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human pancreatic Phospholipase A2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50055291
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic Phospholipase A2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)