BindingDB logo
myBDB logout

15 molecules are shown

Wt: 362.5
BDBM24152
Purchase
Wt: 376.5
BDBM24153
Purchase
Wt: 334.4
BDBM24163
Wt: 360.4
BDBM24164
Wt: 374.5
BDBM24165
Purchase
Wt: 377.5
BDBM24167
Wt: 391.5
BDBM24168
Wt: 376.5
BDBM24169
Wt: 376.5
BDBM24170
Wt: 376.5
BDBM24171
Purchase
Wt: 362.5
BDBM24173
Wt: 390.5
BDBM24174
Wt: 390.5
BDBM24175
Wt: 390.5
BDBM24176
Wt: 390.5
BDBM24177

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 24152,24153,24163,24164,24165,24167,24168,24169,24170,24171,24173,24174,24175,24176,24177   
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 Spindle Protein Eg5


(Homo sapiens)
BDBM24152
PNG
(3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24177
PNG
(3-N,3-N,6-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...)
Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N(CC)CC
Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-14-16(12-13)26-19(17(14)20(24)22(5-2)6-3)21-18(23)15-8-7-11-25-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24163
PNG
(3-N,3-N-dimethyl-2-N-(thiophene-2-)-4,5,6,7-tetrah...)
Show SMILES CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C16H18N2O2S2/c1-18(2)16(20)13-10-6-3-4-7-11(10)22-15(13)17-14(19)12-8-5-9-21-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24164
PNG
(N-[3-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-...)
Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCCC1)c1cccs1
Show InChI InChI=1S/C18H20N2O2S2/c21-16(14-8-5-11-23-14)19-17-15(18(22)20-9-3-4-10-20)12-6-1-2-7-13(12)24-17/h5,8,11H,1-4,6-7,9-10H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24165
PNG
(N-[3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1...)
Show SMILES O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)c1cccs1
Show InChI InChI=1S/C19H22N2O2S2/c22-17(15-9-6-12-24-15)20-18-16(13-7-2-3-8-14(13)25-18)19(23)21-10-4-1-5-11-21/h6,9,12H,1-5,7-8,10-11H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24167
PNG
(3-N-[2-(dimethylamino)ethyl]-2-N-(thiophene-2-)-4,...)
Show SMILES CN(C)CCNC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C18H23N3O2S2/c1-21(2)10-9-19-17(23)15-12-6-3-4-7-13(12)25-18(15)20-16(22)14-8-5-11-24-14/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,19,23)(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24168
PNG
(3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-N-(thiop...)
Show SMILES CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
Show InChI InChI=1S/C19H25N3O2S2/c1-21(2)10-11-22(3)19(24)16-13-7-4-5-8-14(13)26-18(16)20-17(23)15-9-6-12-25-15/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.60E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24169
PNG
(3-N,3-N-diethyl-4-methyl-2-N-(thiophene-2-)-4,5,6,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCC(C)c12
Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-15-12(3)8-6-9-13(15)25-18(16)20-17(22)14-10-7-11-24-14/h7,10-12H,4-6,8-9H2,1-3H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24170
PNG
(3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12
Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 480n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24171
PNG
(3-N,3-N-diethyl-6-methyl-2-N-(thiophene-2-)-4,5,6,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)CCc12
Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-9-8-12(3)11-15(13)25-18(16)20-17(22)14-7-6-10-24-14/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24173
PNG
(N-[3-(diethylcarbamoyl)-5-methyl-4H,5H,6H-cyclopen...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)Cc12
Show InChI InChI=1S/C18H22N2O2S2/c1-4-20(5-2)18(22)15-12-9-11(3)10-14(12)24-17(15)19-16(21)13-7-6-8-23-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24174
PNG
(3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12
Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 3.10E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24175
PNG
(3-N,3-N-diethyl-6,6-dimethyl-2-N-(thiophene-2-)-4,...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)(C)CCc12
Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-9-10-20(3,4)12-15(13)26-18(16)21-17(23)14-8-7-11-25-14/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24176
PNG
(3-N,3-N,5-triethyl-2-N-(thiophene-2-)-4,5,6,7-tetr...)
Show SMILES CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1
Show InChI InChI=1S/C20H26N2O2S2/c1-4-13-9-10-15-14(12-13)17(20(24)22(5-2)6-3)19(26-15)21-18(23)16-8-7-11-25-16/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin Spindle Protein Eg5


(Homo sapiens)
BDBM24153
PNG
(N-[3-(diethylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[...)
Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCCc12
Show InChI InChI=1S/C19H24N2O2S2/c1-3-21(4-2)19(23)16-13-9-6-5-7-10-14(13)25-18(16)20-17(22)15-11-8-12-24-15/h8,11-12H,3-7,9-10H2,1-2H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/a7.022



Kalypsys, Inc.



Assay Description
KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...


Bioorg Med Chem Lett 17: 3562-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.076
BindingDB Entry DOI: 10.7270/Q2QV3JT8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)