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BDBM50078309 4-(3,3-Diphenyl-propylamino)-cinnoline-3-carbonitrile::CHEMBL42312

SMILES: N#Cc1nnc2ccccc2c1NCCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=OKYZTEUAKHHRRB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50078309   
Target
(Institution)
LigandTarget
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
Scytalone dehydratase


(Magnaporthe grisea)
BDBM50078309
PNG
(4-(3,3-Diphenyl-propylamino)-cinnoline-3-carbonitr...)
Show SMILES N#Cc1nnc2ccccc2c1NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem
AffyNet 
MMDB
Article
PubMed
8n/an/an/an/an/an/an/an/a



Stine-Haskell Research Center

Curated by ChEMBL


Assay Description
Inhibition of scytalone dehydratase purified from Magnaporthe grisea


Bioorg Med Chem Lett 9: 1613-8 (1999)

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