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SMILES: OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2N(C[C@H](NC(=O)c2ccccc2)C1=O)C(=O)CCc1ccccc1

InChI Key: InChIKey=GWZOQIZRODZXML-YXHHPBIRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111802   
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
Caspase-1


(Homo sapiens (Human))		BDBM50111802
PNG
(1N-[2-hydroxy-5-oxo-(3S)-dihydro-3-furanyl]-2-[2-o...)
Show SMILES OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2N(C[C@H](NC(=O)c2ccccc2)C1=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C31H30N4O7/c36-26(32-22-17-28(38)42-31(22)41)19-35-25-14-8-7-13-24(25)34(27(37)16-15-20-9-3-1-4-10-20)18-23(30(35)40)33-29(39)21-11-5-2-6-12-21/h1-14,22-23,31,41H,15-19H2,(H,32,36)(H,33,39)/t22-,23-,31?/m0/s1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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 90n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against IL-1 beta converting enzyme

Bioorg Med Chem Lett 12: 1225-7 (2002)


BindingDB Entry DOI: 10.7270/Q2F47NGT
More data for this
Ligand-Target Pair