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/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phospholipase A2 (Homo sapiens (Human))	BDBM50055341 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Brisbane					Assay Description Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.				Chembiochem 4: 181-5 (2003) Article DOI: 10.1002/cbic.200390029 BindingDB Entry DOI: 10.7270/Q28S4NDS
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055341 (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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human non-pancreatic secretory phospholipase A2 (PLA2) in a chromogenic assay				J Med Chem 39: 5137-58 (1997) Article DOI: 10.1021/jm960486n BindingDB Entry DOI: 10.7270/Q2639NV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055341 (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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic Phospholipase A2				J Med Chem 39: 5137-58 (1997) Article DOI: 10.1021/jm960486n BindingDB Entry DOI: 10.7270/Q2639NV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055341 (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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human pancreatic Phospholipase A2				J Med Chem 39: 5137-58 (1997) Article DOI: 10.1021/jm960486n BindingDB Entry DOI: 10.7270/Q2639NV0
					More data for this Ligand-Target Pair				3D Structure (crystal)