BindingDB logo
myBDB logout

null

SMILES: COc1cc(NC(=O)C(=O)N(C)C(C)(C)C)ccc1-c1cnco1

InChI Key: InChIKey=XAQGNYHTBSUITM-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 1 hit for monomerid = 50112567   
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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50112567
PNG
(CHEMBL25087 | N-tert-Butyl-N'-(3-methoxy-4-oxazol-...)
Show SMILES COc1cc(NC(=O)C(=O)N(C)C(C)(C)C)ccc1-c1cnco1
Show InChI InChI=1S/C17H21N3O4/c1-17(2,3)20(4)16(22)15(21)19-11-6-7-12(13(8-11)23-5)14-9-18-10-24-14/h6-10H,1-5H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Inosine-5'-monophosphate dehydrogenase 2

Bioorg Med Chem Lett 12: 1323-6 (2002)


BindingDB Entry DOI: 10.7270/Q2NG4PX7
More data for this
Ligand-Target Pair