BindingDB logo
myBDB logout

BDBM50116144 CHEMBL66176::{(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-phenylamino)-6-methylamino-[1,3,5]triazin-2-yl]-pyrrolidin-2-yl}-methanol

SMILES: CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@@H]1CO

InChI Key: InChIKey=FENBVYAJWRZBIW-CYBMUJFWSA-N

Data: 1 IC50

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 = 50116144   
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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50116144
PNG
(CHEMBL66176 | {(R)-1-[4-(3-Methoxy-4-oxazol-5-yl-p...)
Show SMILES CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(n1)N1CCC[C@@H]1CO
Show InChI InChI=1S/C19H23N7O3/c1-20-17-23-18(25-19(24-17)26-7-3-4-13(26)10-27)22-12-5-6-14(15(8-12)28-2)16-9-21-11-29-16/h5-6,8-9,11,13,27H,3-4,7,10H2,1-2H3,(H2,20,22,23,24,25)/t13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 720n/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: 2137-40 (2002)


Article DOI: 10.1016/s0960-894x(02)00351-7
BindingDB Entry DOI: 10.7270/Q2NZ86Z7
More data for this
Ligand-Target Pair