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

InChI Key: InChIKey=XWLCMGGWXNTFCV-MHZLTWQESA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040466   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))		BDBM50040466
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-7-phenyl-he...)
Show SMILES OC(=O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C30H35NO3S/c32-29(16-10-2-1-5-11-24-12-6-3-7-13-24)31-27(22-30(33)34)23-35-28-19-17-26(18-20-28)21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-20,27H,1-2,5,10-11,16,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 65n/an/an/an/an/an/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