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BDBM50427266 CHEMBL2325436

SMILES: COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=IRHHFVBHMPOEPM-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50427266   
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 (Human))
BDBM50427266
PNG
(CHEMBL2325436)
Show SMILES COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO/c1-25-22-15-13-21(14-16-22)23(17-8-18-24,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-16H,8,17-18,24H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50427266
PNG
(CHEMBL2325436)
Show SMILES COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO/c1-25-22-15-13-21(14-16-22)23(17-8-18-24,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-16H,8,17-18,24H2,1H3
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16n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427266
PNG
(CHEMBL2325436)
Show SMILES COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO/c1-25-22-15-13-21(14-16-22)23(17-8-18-24,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-16H,8,17-18,24H2,1H3
PDB
MMDB

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n/an/a 6.60E+3n/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in CHO cells by Ionworks HT assay


J Med Chem 56: 1878-93 (2013)


Article DOI: 10.1021/jm3014597
BindingDB Entry DOI: 10.7270/Q20866NN
More data for this
Ligand-Target Pair