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BDBM50289412 (S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-pent-4-enoylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL287440

SMILES: OC(=O)C[C@H](NC(=O)C(CC=C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1

InChI Key: InChIKey=WZDPWZTYMSDULQ-QBHOUYDASA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289412   
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))
BDBM50289412
PNG
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)
Show SMILES OC(=O)C[C@H](NC(=O)C(CC=C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1
Show InChI InChI=1S/C32H29N3O7/c1-2-9-27(31(40)34-26(19-29(37)38)28(36)20-42-24-12-4-3-5-13-24)35-17-8-14-25(32(35)41)33-30(39)23-16-15-21-10-6-7-11-22(21)18-23/h2-8,10-18,26-27H,1,9,19-20H2,(H,33,39)(H,34,40)(H,37,38)/t26-,27?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme.


Bioorg Med Chem Lett 7: 1337-1342 (1997)


Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C
More data for this
Ligand-Target Pair