BindingDB logo
myBDB logout

PubMed code 15808464

Compile data set for download or QSAR
Found 32 hits of 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
Caspase-3


(Homo sapiens (Human))
BDBM24065
PNG
(1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...)
Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration towards caspase-3 induction in human A2780 ovarian carcinoma cells


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM24065
PNG
(1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...)
Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164860
PNG
(1-[3-(2,5-Difluoro-phenyl)-5-(3-hydroxy-phenyl)-4,...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1cc(F)ccc1F |c:4|
Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM24053
PNG
(3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-d...)
Show SMILES CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:6|
Show InChI InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM24049
PNG
(1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4|
Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164856
PNG
(1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyra...)
Show SMILES CC(=S)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4|
Show InChI InChI=1S/C17H14F2N2S/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM24066
PNG
(1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164876
PNG
(1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(C)(C)C(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:7|
Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)19(25)23-18(13-7-6-8-14(24)11-13)12-17(22-23)15-9-4-5-10-16(15)21/h4-11,18,24H,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164853
PNG
(1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-di...)
Show SMILES CC(C)C(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:6|
Show InChI InChI=1S/C19H19ClN2O2/c1-12(2)19(24)22-18(13-6-5-7-14(23)10-13)11-17(21-22)15-8-3-4-9-16(15)20/h3-10,12,18,23H,11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164857
PNG
(1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-di...)
Show SMILES CCC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:5|
Show InChI InChI=1S/C18H17ClN2O2/c1-2-18(23)21-17(12-6-5-7-13(22)10-12)11-16(20-21)14-8-3-4-9-15(14)19/h3-10,17,22H,2,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164864
PNG
(3-(2,5-Difluoro-phenyl)-1-methanesulfonyl-5-phenyl...)
Show SMILES CS(=O)(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
Show InChI InChI=1S/C16H14F2N2O2S/c1-23(21,22)20-16(11-5-3-2-4-6-11)10-15(19-20)13-9-12(17)7-8-14(13)18/h2-9,16H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164861
PNG
(1-(3-(2,5-difluorophenyl)-5-(thiophen-2-yl)-4,5-di...)
Show SMILES CC(=O)N1N=C(CC1c1cccs1)c1cc(F)ccc1F |c:4|
Show InChI InChI=1S/C15H12F2N2OS/c1-9(20)19-14(15-3-2-6-21-15)8-13(18-19)11-7-10(16)4-5-12(11)17/h2-7,14H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM24067
PNG
(3,5-diaryl-4,5-dihydropyrazole, 8a | 3-(2,5-difluo...)
Show SMILES CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
Show InChI InChI=1S/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164869
PNG
(1-(3-(2-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164867
PNG
(1-(3-(2-fluorophenyl)-5-phenyl-4,5-dihydropyrazol-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1F |c:4|
Show InChI InChI=1S/C17H15FN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164874
PNG
(1-[3-(3,5-Difluoro-phenyl)-5-phenyl-4,5-dihydro-py...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)cc(F)c1 |c:4|
Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)13-7-14(18)9-15(19)8-13/h2-9,17H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164872
PNG
(4-Amino-1-[3-(2-chloro-phenyl)-5-(3-hydroxy-phenyl...)
Show SMILES NCCCC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:7|
Show InChI InChI=1S/C19H20ClN3O2/c20-16-8-2-1-7-15(16)17-12-18(13-5-3-6-14(24)11-13)23(22-17)19(25)9-4-10-21/h1-3,5-8,11,18,24H,4,9-10,12,21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164875
PNG
(1-[5-(3-Hydroxy-phenyl)-3-phenyl-4,5-dihydro-pyraz...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O2/c1-12(20)19-17(14-8-5-9-15(21)10-14)11-16(18-19)13-6-3-2-4-7-13/h2-10,17,21H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164866
PNG
(1-(3-(3-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cccc(Cl)c1 |c:4|
Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(13-6-3-2-4-7-13)11-16(19-20)14-8-5-9-15(18)10-14/h2-10,17H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50198309
PNG
((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)/t11?,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164865
PNG
(1-[3-(2,6-Difluoro-phenyl)-5-phenyl-4,5-dihydro-py...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1c(F)cccc1F |c:4|
Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-16(12-6-3-2-4-7-12)10-15(20-21)17-13(18)8-5-9-14(17)19/h2-9,16H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164868
PNG
(1-[3-(2,3-Difluoro-phenyl)-5-phenyl-4,5-dihydro-py...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cccc(F)c1F |c:4|
Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-16(12-6-3-2-4-7-12)10-15(20-21)13-8-5-9-14(18)17(13)19/h2-9,16H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164873
PNG
(CHEMBL195659 | [3-(2-Chloro-phenyl)-5-(3-hydroxy-p...)
Show SMILES Oc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1Cl |c:10|
Show InChI InChI=1S/C22H17ClN2O2/c23-19-12-5-4-11-18(19)20-14-21(16-9-6-10-17(26)13-16)25(24-20)22(27)15-7-2-1-3-8-15/h1-13,21,26H,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164877
PNG
(1-[3-(2-Bromo-phenyl)-5-phenyl-4,5-dihydro-pyrazol...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1Br |c:4|
Show InChI InChI=1S/C17H15BrN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.33E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164852
PNG
(1-[3-(2,4-Dichloro-phenyl)-5-phenyl-4,5-dihydro-py...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1Cl |c:4|
Show InChI InChI=1S/C17H14Cl2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-8-7-13(18)9-15(14)19/h2-9,17H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.76E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164862
PNG
(1-(5-Phenyl-3-o-tolyl-4,5-dihydro-pyrazol-1-yl)-et...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1C |c:4|
Show InChI InChI=1S/C18H18N2O/c1-13-8-6-7-11-16(13)17-12-18(20(19-17)14(2)21)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.62E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164870
PNG
(1-(3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyra...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(18)10-8-13/h2-10,17H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164863
PNG
(3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-dihyd...)
Show SMILES COC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:5|
Show InChI InChI=1S/C17H15ClN2O3/c1-23-17(22)20-16(11-5-4-6-12(21)9-11)10-15(19-20)13-7-2-3-8-14(13)18/h2-9,16,21H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164854
PNG
(1-[5-Phenyl-3-(2-trifluoromethyl-phenyl)-4,5-dihyd...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1C(F)(F)F |c:4|
Show InChI InChI=1S/C18H15F3N2O/c1-12(24)23-17(13-7-3-2-4-8-13)11-16(22-23)14-9-5-6-10-15(14)18(19,20)21/h2-10,17H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164859
PNG
(1-[3-(2-Methoxy-phenyl)-5-phenyl-4,5-dihydro-pyraz...)
Show SMILES COc1ccccc1C1=NN(C(C1)c1ccccc1)C(C)=O |t:9|
Show InChI InChI=1S/C18H18N2O2/c1-13(21)20-17(14-8-4-3-5-9-14)12-16(19-20)15-10-6-7-11-18(15)22-2/h3-11,17H,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164871
PNG
(1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C17H16N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-11,17H,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50164858
PNG
(3-[5-(2-Chloro-phenyl)-2-methyl-3,4-dihydro-2H-pyr...)
Show SMILES CN1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:2|
Show InChI InChI=1S/C16H15ClN2O/c1-19-16(11-5-4-6-12(20)9-11)10-15(18-19)13-7-2-3-8-14(13)17/h2-9,16,20H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%