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/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, membrane associated (Homo sapiens (Human))	BDBM50055291 (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 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	152	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))	BDBM50055291 (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 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	6.90E+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)
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50055291 (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 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	2.50E+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)