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BDBM50427276 CHEMBL2325412

SMILES: CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ISYSJVUFTUUSTF-QHCPKHFHSA-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 = 50427276   
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))
BDBM50427276
PNG
(CHEMBL2325412)
Show SMILES CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2S/c1-3-19-16-22(15-14-18(19)2)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-17-23(26)24(27)28/h4-16,23H,3,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
4.60n/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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50427276
PNG
(CHEMBL2325412)
Show SMILES CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2S/c1-3-19-16-22(15-14-18(19)2)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-17-23(26)24(27)28/h4-16,23H,3,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1
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Article
PubMed
4.90n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50427276
PNG
(CHEMBL2325412)
Show SMILES CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2S/c1-3-19-16-22(15-14-18(19)2)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-17-23(26)24(27)28/h4-16,23H,3,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1
PDB
MMDB

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PC cid
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n/an/a>2.50E+4n/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