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PDB code 4A50

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 9 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
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5.10n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
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6.40n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
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7.10n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
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10.2n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382548
PNG
(CHEMBL2022995)
Show SMILES Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
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11.1n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
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12n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
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12.2n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382548
PNG
(CHEMBL2022995)
Show SMILES Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
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12.8n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1

  (368/368 = 100%)
(Homo sapiens)
BDBM50382546
PNG
(CHEMBL2022996)
Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1
PDB
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n/an/an/an/a 73n/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)

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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output