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BDBM50289399 (S)-3-(2-{6-Ethyl-3-[(naphthalene-1-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-acetylamino)-4-oxo-5-phenoxy-pentanoic acid::CHEMBL26302

SMILES: CCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1

InChI Key: InChIKey=MRRYDJDMUYCCIP-SANMLTNESA-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 = 50289399   
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))
BDBM50289399
PNG
((S)-3-(2-{6-Ethyl-3-[(naphthalene-1-carbonyl)-amin...)
Show SMILES CCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1
Show InChI InChI=1S/C31H29N3O7/c1-2-21-15-16-25(33-30(39)24-14-8-10-20-9-6-7-13-23(20)24)31(40)34(21)18-28(36)32-26(17-29(37)38)27(35)19-41-22-11-4-3-5-12-22/h3-16,26H,2,17-19H2,1H3,(H,32,36)(H,33,39)(H,37,38)/t26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
40n/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