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BDBM23780 (2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sulfanyl]propanoic acid::S-Trityl-L-Cysteine (STLC) Analogue, 9

SMILES: N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O

InChI Key: InChIKey=BCBSYXGYLMMICN-DEOSSOPVSA-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 = 23780   
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))
BDBM23780
PNG
((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
4.20n/an/an/an/an/an/an/an/a



The Beatson Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction...


J Med Chem 55: 1511-25 (2012)


Article DOI: 10.1021/jm201195m
BindingDB Entry DOI: 10.7270/Q2CZ386T
More data for this
Ligand-Target Pair
Kinesin Spindle Protein Eg5


(Homo sapiens (Human))
BDBM23780
PNG
((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
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PubMed
200 -9.04n/an/an/an/an/a6.922



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM23780
PNG
((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1
PDB
MMDB

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n/an/a 16.3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
More data for this
Ligand-Target Pair