BindingDB logo
myBDB logout

null

SMILES: Cc1noc(C)c1CN1C(=O)C(=O)c2cc(ccc12)C#N

InChI Key: InChIKey=AGHODQJTQBGFTA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50167314   
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50167314
PNG
(1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3...)
Show SMILES Cc1noc(C)c1CN1C(=O)C(=O)c2cc(ccc12)C#N
Show InChI InChI=1S/C15H11N3O3/c1-8-12(9(2)21-17-8)7-18-13-4-3-10(6-16)5-11(13)14(19)15(18)20/h3-5H,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 7.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(Human SARS coronavirus (SARS-CoV))		BDBM50167314
PNG
(1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3...)
Show SMILES Cc1noc(C)c1CN1C(=O)C(=O)c2cc(ccc12)C#N
Show InChI InChI=1S/C15H11N3O3/c1-8-12(9(2)21-17-8)7-18-13-4-3-10(6-16)5-11(13)14(19)15(18)20/h3-5H,7H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)

Bioorg Med Chem Lett 15: 3058-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.027
BindingDB Entry DOI: 10.7270/Q2H131JB
More data for this
Ligand-Target Pair