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BDBM50289411 (S)-3-(3-Methyl-2-{3-[(naphthalene-1-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL27304

SMILES: CC(C)C(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O

InChI Key: InChIKey=PGNUIGNNQHSTEE-QUWDGAPNSA-N

Data: 1 KI

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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 = 50289411   
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))
BDBM50289411
PNG
((S)-3-(3-Methyl-2-{3-[(naphthalene-1-carbonyl)-ami...)
Show SMILES CC(C)C(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O
Show InChI InChI=1S/C32H31N3O7/c1-20(2)29(31(40)34-26(18-28(37)38)27(36)19-42-22-12-4-3-5-13-22)35-17-9-16-25(32(35)41)33-30(39)24-15-8-11-21-10-6-7-14-23(21)24/h3-17,20,26,29H,18-19H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t26-,29?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
21n/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