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PDB code 1RWM

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Caspase-1

  (88/88 = 100%)
(Homo sapiens (human))
BDBM50176498
PNG
((S)-4-oxo-3-(2-(5-((4-(quinoxalin-2-ylamino)benzam...)
Show SMILES OC(=O)C[C@H](NC(=O)Cc1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)s1)C=O
Show InChI InChI=1S/C26H23N5O5S/c32-15-18(11-25(34)35)30-24(33)12-19-9-10-20(37-19)13-28-26(36)16-5-7-17(8-6-16)29-23-14-27-21-3-1-2-4-22(21)31-23/h1-10,14-15,18H,11-13H2,(H,28,36)(H,29,31)(H,30,33)(H,34,35)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
120n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Caspase 1


Bioorg Med Chem Lett 16: 559-62 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output