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BDBM50305248 1-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)ethanone::CHEMBL591332

SMILES: CC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1

InChI Key: InChIKey=ZNGGYWGHJZJJDR-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50305248   
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
Kinesin-like protein 1


(Homo sapiens)
BDBM50305248
PNG
(1-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyr...)
Show SMILES CC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1
Show InChI InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3
PDB
MMDB

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PDB
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of EG5 after 2 hrs


Bioorg Med Chem Lett 20: 157-60 (2010)

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