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BDBM50055341 CHEMBL149502::[3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID::[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl]-phosphonic acid::hnpsPLA2-IIa Inhibitor, 1

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

InChI Key: InChIKey=AQEYCNKFBRLUOT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50055341   
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))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
PDB
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PC cid
PC sid
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AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 6.70E+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


(Homo sapiens (Human))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
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PC sid
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AffyNet 
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Citation and Details
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (human))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
PDB
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NCI pathway
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KEGG

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Article
PubMed
n/an/a 57n/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))
BDBM50055341
PNG
(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
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PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 2.70E+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)