Found 46 hits with Last Name = 'brammeier' and Initial = 'n' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185219
((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinu...)Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(4.27,-32.71,;5.6,-33.48,;5.6,-35.02,;6.93,-35.79,;8.27,-35.03,;9.61,-35.79,;10.95,-35.01,;12.28,-35.78,;10.94,-33.46,;12.27,-32.69,;13.68,-33.32,;14.7,-32.18,;16.24,-32.18,;17.02,-30.84,;16.23,-29.5,;14.69,-29.51,;13.93,-30.84,;12.43,-31.16,;9.59,-32.69,;9.59,-31.15,;8.64,-29.94,;8.36,-28.54,;7.01,-27.94,;5.55,-28.58,;5.74,-29.96,;7.27,-29.3,;7.53,-27.41,;7.08,-26.31,;8.26,-33.47,;6.93,-32.71,)| Show InChI InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185221
((S)-3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(quinu...)Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(17.38,-9.04,;18.71,-9.81,;18.71,-11.36,;20.04,-12.13,;21.38,-11.36,;22.72,-12.13,;24.06,-11.35,;25.39,-12.12,;24.05,-9.8,;25.38,-9.02,;26.79,-9.65,;27.81,-8.51,;29.35,-8.51,;30.13,-7.17,;29.34,-5.83,;27.8,-5.84,;27.04,-7.17,;25.54,-7.5,;22.7,-9.02,;22.7,-7.48,;21.75,-6.27,;21.47,-4.88,;20.12,-4.28,;18.65,-4.92,;18.85,-6.3,;20.38,-5.64,;20.64,-3.75,;20.19,-2.64,;21.37,-9.81,;20.04,-9.04,)| Show InChI InChI=1S/C24H25N5O/c1-14-6-7-17-16(12-14)22(25-20-13-29-10-8-15(20)9-11-29)21(24(30)28-17)23-26-18-4-2-3-5-19(18)27-23/h2-7,12,15,20H,8-11,13H2,1H3,(H,26,27)(H2,25,28,30)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185218
((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...)Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1 Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185217
(3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...)Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1 Show InChI InChI=1S/C21H20ClN5O/c22-12-7-8-15-14(10-12)19(24-13-4-3-9-23-11-13)18(21(28)27-15)20-25-16-5-1-2-6-17(16)26-20/h1-2,5-8,10,13,23H,3-4,9,11H2,(H,25,26)(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185224
(3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...)Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1 Show InChI InChI=1S/C22H23N5O/c1-13-8-9-16-15(11-13)20(24-14-5-4-10-23-12-14)19(22(28)27-16)21-25-17-6-2-3-7-18(17)26-21/h2-3,6-9,11,14,23H,4-5,10,12H2,1H3,(H,25,26)(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185220
(3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...)Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 Show InChI InChI=1S/C22H23N5O/c1-13-6-7-16-15(12-13)20(24-14-8-10-23-11-9-14)19(22(28)27-16)21-25-17-4-2-3-5-18(17)26-21/h2-7,12,14,23H,8-11H2,1H3,(H,25,26)(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185216
(3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...)Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 Show InChI InChI=1S/C21H20ClN5O/c22-12-5-6-15-14(11-12)19(24-13-7-9-23-10-8-13)18(21(28)27-15)20-25-16-3-1-2-4-17(16)26-20/h1-6,11,13,23H,7-10H2,(H,25,26)(H2,24,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185226
((R)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...)Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CCNC3)c2c1 Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185215
((S)-3-(1H-benzo[d]imidazol-2-yl)-4-(quinuclidin-3-...)Show SMILES O=c1[nH]c2ccccc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |wU:11.11,TLB:10:11:15.14:17.18,(-2.4,-12.59,;-3.74,-11.82,;-5.08,-12.6,;-6.42,-11.83,;-7.76,-12.6,;-9.09,-11.83,;-9.09,-10.28,;-7.76,-9.51,;-6.43,-10.28,;-5.09,-9.49,;-5.1,-7.95,;-6.05,-6.74,;-6.33,-5.35,;-7.68,-4.75,;-9.14,-5.39,;-8.95,-6.77,;-7.42,-6.11,;-7.16,-4.22,;-7.61,-3.11,;-3.75,-10.27,;-2.41,-9.49,;-1.01,-10.12,;.01,-8.98,;1.56,-8.98,;2.33,-7.64,;1.54,-6.3,;0,-6.31,;-.76,-7.64,;-2.26,-7.97,)| Show InChI InChI=1S/C23H23N5O/c29-23-20(22-25-17-7-3-4-8-18(17)26-22)21(15-5-1-2-6-16(15)27-23)24-19-13-28-11-9-14(19)10-12-28/h1-8,14,19H,9-13H2,(H,25,26)(H2,24,27,29)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305245
((+/-)-3-amino-1-(6-ethyl-1-(3-hydroxyphenyl)-3,4-d...)Show SMILES CCc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1 Show InChI InChI=1S/C22H25N3O2/c1-2-14-6-7-19-18(12-14)17-9-11-25(20(27)8-10-23)22(21(17)24-19)15-4-3-5-16(26)13-15/h3-7,12-13,22,24,26H,2,8-11,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305246
((+/-)-3-amino-1-(1-(3-hydroxyphenyl)-6-methyl-3,4-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1 Show InChI InChI=1S/C21H23N3O2/c1-13-5-6-18-17(11-13)16-8-10-24(19(26)7-9-22)21(20(16)23-18)14-3-2-4-15(25)12-14/h2-6,11-12,21,23,25H,7-10,22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305246
((+/-)-3-amino-1-(1-(3-hydroxyphenyl)-6-methyl-3,4-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1 Show InChI InChI=1S/C21H23N3O2/c1-13-5-6-18-17(11-13)16-8-10-24(19(26)7-9-22)21(20(16)23-18)14-3-2-4-15(25)12-14/h2-6,11-12,21,23,25H,7-10,22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185223
((S)-3-(1H-benzo[d]imidazol-2-yl)-5,6-dichloro-4-(q...)Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1Cl |wU:20.21,TLB:19:20:24.23:26.27,(3.37,-44,;4.71,-44.76,;4.71,-46.31,;6.04,-47.08,;7.37,-46.31,;8.71,-47.08,;10.06,-46.3,;11.39,-47.07,;10.05,-44.75,;11.38,-43.97,;12.78,-44.6,;13.81,-43.46,;15.35,-43.46,;16.12,-42.12,;15.34,-40.78,;13.8,-40.79,;13.04,-42.12,;11.53,-42.45,;8.7,-43.97,;8.69,-42.43,;7.74,-41.22,;7.47,-39.83,;6.12,-39.23,;4.65,-39.87,;4.85,-41.25,;6.38,-40.59,;6.63,-38.7,;6.19,-37.59,;7.37,-44.76,;6.03,-43.99,;6.03,-42.46,)| Show InChI InChI=1S/C23H21Cl2N5O/c24-13-5-6-16-18(20(13)25)21(26-17-11-30-9-7-12(17)8-10-30)19(23(31)29-16)22-27-14-3-1-2-4-15(14)28-22/h1-6,12,17H,7-11H2,(H,27,28)(H2,26,29,31)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305241
((+/-)-3-amino-1-(6-bromo-1-(3-hydroxyphenyl)-3,4-d...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C20H20BrN3O2/c21-13-4-5-17-16(11-13)15-7-9-24(18(26)6-8-22)20(19(15)23-17)12-2-1-3-14(25)10-12/h1-5,10-11,20,23,25H,6-9,22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305242
((+/-)-3-amino-1-(6-chloro-1-(3-hydroxyphenyl)-3,4-...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C20H20ClN3O2/c21-13-4-5-17-16(11-13)15-7-9-24(18(26)6-8-22)20(19(15)23-17)12-2-1-3-14(25)10-12/h1-5,10-11,20,23,25H,6-9,22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305237
((+/-)-2-amino-1-(1-(3-hydroxyphenyl)-6-methyl-3,4-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CN)c1cccc(O)c1 Show InChI InChI=1S/C20H21N3O2/c1-12-5-6-17-16(9-12)15-7-8-23(18(25)11-21)20(19(15)22-17)13-3-2-4-14(24)10-13/h2-6,9-10,20,22,24H,7-8,11,21H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305236
((+/-)-4-amino-1-(1-(3-hydroxyphenyl)-6-methyl-3,4-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCCN)c1cccc(O)c1 Show InChI InChI=1S/C22H25N3O2/c1-14-7-8-19-18(12-14)17-9-11-25(20(27)6-3-10-23)22(21(17)24-19)15-4-2-5-16(26)13-15/h2,4-5,7-8,12-13,22,24,26H,3,6,9-11,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305222
((+/-)-3-amino-1-(1-(3-fluorophenyl)-6-methyl-3,4-d...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(F)c1 Show InChI InChI=1S/C21H22FN3O/c1-13-5-6-18-17(11-13)16-8-10-25(19(26)7-9-23)21(20(16)24-18)14-3-2-4-15(22)12-14/h2-6,11-12,21,24H,7-10,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305234
((+/-)-1-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN1CCCCC1)c1cccc(O)c1 Show InChI InChI=1S/C26H31N3O2/c1-18-8-9-23-22(16-18)21-10-15-29(24(31)11-14-28-12-3-2-4-13-28)26(25(21)27-23)19-6-5-7-20(30)17-19/h5-9,16-17,26-27,30H,2-4,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185214
((S)-3-(1H-benzo[d]imidazol-2-yl)-8-methyl-4-(quinu...)Show SMILES Cc1cccc2c(N[C@@H]3CN4CCC3CC4)c(-c3nc4ccccc4[nH]3)c(=O)[nH]c12 |wU:8.7,TLB:7:8:12.11:14.15,(20.4,-48.62,;20.4,-47.08,;19.07,-46.31,;19.07,-44.77,;20.4,-44,;21.73,-44.76,;23.07,-43.98,;23.06,-42.44,;22.11,-41.23,;21.84,-39.83,;20.48,-39.23,;19.02,-39.87,;19.21,-41.25,;20.75,-40.59,;21,-38.7,;20.55,-37.59,;24.42,-44.75,;25.75,-43.98,;27.15,-44.61,;28.18,-43.47,;29.72,-43.46,;30.49,-42.13,;29.71,-40.79,;28.17,-40.79,;27.4,-42.13,;25.9,-42.45,;24.42,-46.3,;25.76,-47.07,;23.08,-47.08,;21.74,-46.31,)| Show InChI InChI=1S/C24H25N5O/c1-14-5-4-6-16-21(14)28-24(30)20(23-26-17-7-2-3-8-18(17)27-23)22(16)25-19-13-29-11-9-15(19)10-12-29/h2-8,15,19H,9-13H2,1H3,(H,26,27)(H2,25,28,30)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305231
((+/-)-N-(3-(6-chloro-1-(3-hydroxyphenyl)-3,4-dihyd...)Show SMILES CS(=O)(=O)NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C21H22ClN3O4S/c1-30(28,29)23-9-7-19(27)25-10-8-16-17-12-14(22)5-6-18(17)24-20(16)21(25)13-3-2-4-15(26)11-13/h2-6,11-12,21,23-24,26H,7-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305228
((+/-)-3-amino-1-(6-methyl-1-phenyl-3,4-dihydro-1H-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1ccccc1 Show InChI InChI=1S/C21H23N3O/c1-14-7-8-18-17(13-14)16-10-12-24(19(25)9-11-22)21(20(16)23-18)15-5-3-2-4-6-15/h2-8,13,21,23H,9-12,22H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305235
((+/-)-3-(2-(2-aminoethylsulfonyl)-6-chloro-2,3,4,9...)Show SMILES NCCS(=O)(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C19H20ClN3O3S/c20-13-4-5-17-16(11-13)15-6-8-23(27(25,26)9-7-21)19(18(15)22-17)12-2-1-3-14(24)10-12/h1-5,10-11,19,22,24H,6-9,21H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305248
(1-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H-pyr...)Show SMILES CC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305239
((+/-)-3-amino-1-(1-(3-hydroxyphenyl)-6-(trifluorom...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(OC(F)(F)F)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)30-14-4-5-17-16(11-14)15-7-9-27(18(29)6-8-25)20(19(15)26-17)12-2-1-3-13(28)10-12/h1-5,10-11,20,26,28H,6-9,25H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305221
((+/-)-3-amino-1-(6-chloro-1-cyclohexyl-3,4-dihydro...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1CCCCC1 Show InChI InChI=1S/C20H26ClN3O/c21-14-6-7-17-16(12-14)15-9-11-24(18(25)8-10-22)20(19(15)23-17)13-4-2-1-3-5-13/h6-7,12-13,20,23H,1-5,8-11,22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305238
((+/-)-1-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-...)Show SMILES CCC(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C21H22N2O2/c1-3-19(25)23-10-9-16-17-11-13(2)7-8-18(17)22-20(16)21(23)14-5-4-6-15(24)12-14/h4-8,11-12,21-22,24H,3,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185222
((R)-3-(1H-benzo[d]imidazol-2-yl)-4-(quinuclidin-3-...)Show SMILES O=c1[nH]c2ccccc2c(N[C@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |wD:11.11,TLB:10:11:15.14:17.18,(10.4,-12.01,;9.07,-11.25,;7.73,-12.02,;6.39,-11.26,;5.05,-12.02,;3.72,-11.25,;3.72,-9.71,;5.05,-8.94,;6.38,-9.7,;7.71,-8.92,;7.71,-7.38,;6.76,-6.17,;6.48,-4.78,;5.13,-4.17,;3.67,-4.81,;3.86,-6.19,;5.39,-5.54,;5.65,-3.64,;5.2,-2.54,;9.06,-9.69,;10.39,-8.92,;11.8,-9.55,;12.82,-8.41,;14.36,-8.41,;15.13,-7.07,;14.35,-5.73,;12.81,-5.74,;12.05,-7.07,;10.54,-7.4,)| Show InChI InChI=1S/C23H23N5O/c29-23-20(22-25-17-7-3-4-8-18(17)26-22)21(15-5-1-2-6-16(15)27-23)24-19-13-28-11-9-14(19)10-12-28/h1-8,14,19H,9-13H2,(H,25,26)(H2,24,27,29)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 482 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305219
((+/-)-3-amino-1-(1-(3-hydroxyphenyl)-3,4-dihydro-1...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(O)c1 Show InChI InChI=1S/C20H21N3O2/c21-10-8-18(25)23-11-9-16-15-6-1-2-7-17(15)22-19(16)20(23)13-4-3-5-14(24)12-13/h1-7,12,20,22,24H,8-11,21H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50181305
(4-amino-3-(1H-benzo[d]imidazol-2-yl)quinolin-2(1H)...)Show InChI InChI=1S/C16H12N4O/c17-14-9-5-1-2-6-10(9)20-16(21)13(14)15-18-11-7-3-4-8-12(11)19-15/h1-8H,(H,18,19)(H3,17,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 731 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305230
((2S)-2-amino-1-(6-chloro-1-(3-hydroxyphenyl)-3,4-d...)Show SMILES CC(C)[C@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 |r| Show InChI InChI=1S/C22H24ClN3O2/c1-12(2)19(24)22(28)26-9-8-16-17-11-14(23)6-7-18(17)25-20(16)21(26)13-4-3-5-15(27)10-13/h3-7,10-12,19,21,25,27H,8-9,24H2,1-2H3/t19-,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305247
((+/-)-3-amino-1-(6-fluoro-1-(3-hydroxyphenyl)-3,4-...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(F)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C20H20FN3O2/c21-13-4-5-17-16(11-13)15-7-9-24(18(26)6-8-22)20(19(15)23-17)12-2-1-3-14(25)10-12/h1-5,10-11,20,23,25H,6-9,22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305232
((+/-)-1-(6-chloro-1-(3-hydroxyphenyl)-3,4-dihydro-...)Show SMILES Oc1cccc(c1)C1N(CCc2c1[nH]c1ccc(Cl)cc21)C(=O)CC1CCNCC1 Show InChI InChI=1S/C24H26ClN3O2/c25-17-4-5-21-20(14-17)19-8-11-28(22(30)12-15-6-9-26-10-7-15)24(23(19)27-21)16-2-1-3-18(29)13-16/h1-5,13-15,24,26-27,29H,6-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305233
((+/-)-(1-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-1H...)Show SMILES CN1CCCC(C1)C(=O)N1CCc2c([nH]c3ccc(C)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C25H29N3O2/c1-16-8-9-22-21(13-16)20-10-12-28(25(30)18-6-4-11-27(2)15-18)24(23(20)26-22)17-5-3-7-19(29)14-17/h3,5,7-9,13-14,18,24,26,29H,4,6,10-12,15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305243
((+/-)-3-amino-1-(1-(3-hydroxyphenyl)-6-phenyl-3,4-...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(cc23)-c2ccccc2)C1c1cccc(O)c1 Show InChI InChI=1S/C26H25N3O2/c27-13-11-24(31)29-14-12-21-22-16-18(17-5-2-1-3-6-17)9-10-23(22)28-25(21)26(29)19-7-4-8-20(30)15-19/h1-10,15-16,26,28,30H,11-14,27H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305223
(1-(1-(3-hydroxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b...)Show InChI InChI=1S/C19H18N2O2/c1-12(22)21-10-9-16-15-7-2-3-8-17(15)20-18(16)19(21)13-5-4-6-14(23)11-13/h2-8,11,19-20,23H,9-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50181317
(3-(1H-benzo[d]imidazol-2-yl)-4-hydroxyquinolin-2(1...)Show InChI InChI=1S/C16H11N3O2/c20-14-9-5-1-2-6-10(9)19-16(21)13(14)15-17-11-7-3-4-8-12(11)18-15/h1-8H,(H,17,18)(H2,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305240
((+/-)-3-amino-1-(6-hydroxy-1-(3-hydroxyphenyl)-3,4...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(O)cc23)C1c1cccc(O)c1 Show InChI InChI=1S/C20H21N3O3/c21-8-6-18(26)23-9-7-15-16-11-14(25)4-5-17(16)22-19(15)20(23)12-2-1-3-13(24)10-12/h1-5,10-11,20,22,24-25H,6-9,21H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305220
((+/-)-3-amino-1-(1-(2-aminopyridin-4-yl)-6-chloro-...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccnc(N)c1 Show InChI InChI=1S/C19H20ClN5O/c20-12-1-2-15-14(10-12)13-5-8-25(17(26)3-6-21)19(18(13)24-15)11-4-7-23-16(22)9-11/h1-2,4,7,9-10,19,24H,3,5-6,8,21H2,(H2,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305229
((2R)-2-amino-1-(6-chloro-1-(3-hydroxyphenyl)-3,4-d...)Show SMILES CC(C)[C@@H](N)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 |r| Show InChI InChI=1S/C22H24ClN3O2/c1-12(2)19(24)22(28)26-9-8-16-17-11-14(23)6-7-18(17)25-20(16)21(26)13-4-3-5-15(27)10-13/h3-7,10-12,19,21,25,27H,8-9,24H2,1-2H3/t19-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305227
((+/-)-3-amino-1-(1-(3-methoxyphenyl)-6-methyl-3,4-...)Show SMILES COc1cccc(c1)C1N(CCc2c1[nH]c1ccc(C)cc21)C(=O)CCN Show InChI InChI=1S/C22H25N3O2/c1-14-6-7-19-18(12-14)17-9-11-25(20(26)8-10-23)22(21(17)24-19)15-4-3-5-16(13-15)27-2/h3-7,12-13,22,24H,8-11,23H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305244
((+/-)-3-amino-1-(1-(3-hydroxyphenyl)-6-isopropyl-3...)Show SMILES CC(C)c1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(O)c1 Show InChI InChI=1S/C23H27N3O2/c1-14(2)15-6-7-20-19(13-15)18-9-11-26(21(28)8-10-24)23(22(18)25-20)16-4-3-5-17(27)12-16/h3-7,12-14,23,25,27H,8-11,24H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305226
((+/-)-N-(3-(2-(3-aminopropanoyl)-6-methyl-2,3,4,9-...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C22H26N4O3S/c1-14-6-7-19-18(12-14)17-9-11-26(20(27)8-10-23)22(21(17)24-19)15-4-3-5-16(13-15)25-30(2,28)29/h3-7,12-13,22,24-25H,8-11,23H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305225
((+/-)-5-(2-(3-aminopropanoyl)-6-methyl-2,3,4,9-tet...)Show SMILES Cc1ccc2[nH]c3C(N(CCc3c2c1)C(=O)CCN)c1ccc2oc(=O)[nH]c2c1 Show InChI InChI=1S/C22H22N4O3/c1-12-2-4-16-15(10-12)14-7-9-26(19(27)6-8-23)21(20(14)24-16)13-3-5-18-17(11-13)25-22(28)29-18/h2-5,10-11,21,24H,6-9,23H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50305224
((+/-)-5-(2-(3-aminopropanoyl)-6-chloro-2,3,4,9-tet...)Show SMILES NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(=O)[nH]c1 Show InChI InChI=1S/C19H19ClN4O2/c20-12-2-3-15-14(9-12)13-6-8-24(17(26)5-7-21)19(18(13)23-15)11-1-4-16(25)22-10-11/h1-4,9-10,19,23H,5-8,21H2,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of EG5 after 2 hrs |
Bioorg Med Chem Lett 20: 157-60 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.012
BindingDB Entry DOI: 10.7270/Q29G5MXP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50185225
(3-(1H-benzo[d]imidazol-2-yl)-4-(diethylamino)quino...)Show SMILES CCN(CC)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C20H20N4O/c1-3-24(4-2)18-13-9-5-6-10-14(13)23-20(25)17(18)19-21-15-11-7-8-12-16(15)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiron Corporation
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 |
Bioorg Med Chem Lett 16: 3121-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT |
More data for this
Ligand-Target Pair | |
Search and Browse
