BDBM50040461 (S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-heptanoylamino)-pentanoic acid::(S)-5-(4-Benzyl-phenylsulfanyl)-4-(7-phenyl-heptanoylamino)-pentanoic acid::CHEMBL434630

SMILES: OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1

InChI Key: InChIKey=BLFSPSZATDQQMK-NDEPHWFRSA-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 = 50040461   

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
Group VII phospholipase A2 (Sus scrofa)	BDBM50040461 ((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...) Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1	GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description Compound was tested for in vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Group VII phospholipase A2 (Sus scrofa)	BDBM50040461 ((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...) Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1	GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50040461 ((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...) Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair				3D Structure (crystal)