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BDBM50068966 (S)-5-(Methyl-phenethyl-amino)-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid::CHEMBL367714

SMILES: CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O

InChI Key: InChIKey=VCHZFVIGXWMBDQ-XLTVJXRZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068966   
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))
BDBM50068966
PNG
((S)-5-(Methyl-phenethyl-amino)-3-(2-{3-[(naphthale...)
Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C34H36N4O6/c1-3-29(33(43)36-28(21-31(40)41)30(39)22-37(2)19-17-23-10-5-4-6-11-23)38-18-9-14-27(34(38)44)35-32(42)26-16-15-24-12-7-8-13-25(24)20-26/h4-16,18,20,28-29H,3,17,19,21-22H2,1-2H3,(H,35,42)(H,36,43)(H,40,41)/t28-,29?/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IL-1 beta converting enzyme


Bioorg Med Chem Lett 8: 959-64 (1999)


Article DOI: 10.1016/s0960-894x(98)00136-x
BindingDB Entry DOI: 10.7270/Q2ZP458C
More data for this
Ligand-Target Pair