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BDBM50416541 CHEMBL1215175

SMILES: COc1cc(NC(=O)NCc2ccc(\C=C\C(=O)NO)cc2)ccc1C#N

InChI Key: InChIKey=NDNABIJPIYGDIQ-RMKNXTFCSA-N

Data: 2 KI

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 = 50416541   
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))
BDBM50416541
PNG
(CHEMBL1215175)
Show SMILES COc1cc(NC(=O)NCc2ccc(\C=C\C(=O)NO)cc2)ccc1C#N
Show InChI InChI=1S/C19H18N4O4/c1-27-17-10-16(8-7-15(17)11-20)22-19(25)21-12-14-4-2-13(3-5-14)6-9-18(24)23-26/h2-10,26H,12H2,1H3,(H,23,24)(H2,21,22,25)/b9-6+
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


Bioorg Med Chem 18: 5950-64 (2010)


Article DOI: 10.1016/j.bmc.2010.06.081
BindingDB Entry DOI: 10.7270/Q2S75HKW
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1)


(Homo sapiens (Human))
BDBM50416541
PNG
(CHEMBL1215175)
Show SMILES COc1cc(NC(=O)NCc2ccc(\C=C\C(=O)NO)cc2)ccc1C#N
Show InChI InChI=1S/C19H18N4O4/c1-27-17-10-16(8-7-15(17)11-20)22-19(25)21-12-14-4-2-13(3-5-14)6-9-18(24)23-26/h2-10,26H,12H2,1H3,(H,23,24)(H2,21,22,25)/b9-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH1


Bioorg Med Chem 18: 5950-64 (2010)


Article DOI: 10.1016/j.bmc.2010.06.081
BindingDB Entry DOI: 10.7270/Q2S75HKW
More data for this
Ligand-Target Pair