Found 203 hits with Last Name = 'viaud-massuard' and Initial = 'mc' 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 |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28798
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234375
((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294690
((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OC)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30+/t29-/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294688
((S)-3-(4-(2-(6-((benzyloxyimino)(phenyl)methyl)-4,...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCc2ccccc2)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C38H42N2O5/c1-4-43-35(37(41)42)25-28-15-18-32(19-16-28)44-24-23-40-22-21-38(2,3)33-26-31(17-20-34(33)40)36(30-13-9-6-10-14-30)39-45-27-29-11-7-5-8-12-29/h5-20,26,35H,4,21-25,27H2,1-3H3,(H,41,42)/b39-36+/t35-/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
| 18.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294692
((S)-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)-4,4-...)Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C32H35F3N2O5/c1-31(2)15-16-37(27-14-11-24(20-26(27)31)29(36-40-3)23-7-5-4-6-8-23)17-18-41-25-12-9-22(10-13-25)19-28(30(38)39)42-21-32(33,34)35/h4-14,20,28H,15-19,21H2,1-3H3,(H,38,39)/b36-29+/t28-/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
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234377
(2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...)Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O |w:3.3| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294691
((S)-2-(2-benzoylphenylamino)-3-(4-(2-(6-((methoxyi...)Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C43H43N3O5/c1-43(2)24-25-46(39-23-20-33(29-36(39)43)40(45-50-3)31-12-6-4-7-13-31)26-27-51-34-21-18-30(19-22-34)28-38(42(48)49)44-37-17-11-10-16-35(37)41(47)32-14-8-5-9-15-32/h4-23,29,38,44H,24-28H2,1-3H3,(H,48,49)/b45-40+/t38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294689
((S)-3-(4-(2-(6-((allyloxyimino)(phenyl)methyl)-4,4...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCC=C)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C34H40N2O5/c1-5-21-41-35-32(26-10-8-7-9-11-26)27-14-17-30-29(24-27)34(3,4)18-19-36(30)20-22-40-28-15-12-25(13-16-28)23-31(33(37)38)39-6-2/h5,7-17,24,31H,1,6,18-23H2,2-4H3,(H,37,38)/b35-32+/t31-/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
| 54.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234372
((R)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...)Show SMILES CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/m1/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
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294693
((S)-3-(4-(2-(6-((cyclopropylmethoxyimino)(phenyl)m...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCC2CC2)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C35H42N2O5/c1-4-40-32(34(38)39)22-25-12-15-29(16-13-25)41-21-20-37-19-18-35(2,3)30-23-28(14-17-31(30)37)33(27-8-6-5-7-9-27)36-42-24-26-10-11-26/h5-9,12-17,23,26,32H,4,10-11,18-22,24H2,1-3H3,(H,38,39)/b36-33+/t32-/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
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234373
(CHEMBL253851 | ethyl 2-ethoxy-3-(4-(2-(6-((hydroxy...)Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C33H40N2O5/c1-5-38-30(32(36)39-6-2)22-24-12-15-27(16-13-24)40-21-20-35-19-18-33(3,4)28-23-26(14-17-29(28)35)31(34-37)25-10-8-7-9-11-25/h7-17,23,30-31H,5-6,18-22H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 618 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234378
(CHEMBL399629 | ethyl 2-ethoxy-3-(4-(2-(6-((methoxy...)Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC |w:3.3| Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294694
((S)-2-(2-ethoxy-2-oxoethylamino)-3-(4-(2-(6-((hydr...)Show SMILES CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H37N3O6/c1-4-40-29(36)22-35(31(37)38)21-23-10-13-26(14-11-23)41-19-18-34-17-16-32(2,3)27-20-25(12-15-28(27)34)30(33-39)24-8-6-5-7-9-24/h5-15,20,30H,4,16-19,21-22H2,1-3H3,(H,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234376
(CHEMBL252996 | dimethyl 2-(4-(2-(6-((hydroxyimino)...)Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H36N2O6/c1-32(2)16-17-34(28-15-12-24(21-27(28)32)29(33-37)23-8-6-5-7-9-23)18-19-40-25-13-10-22(11-14-25)20-26(30(35)38-3)31(36)39-4/h5-15,21,26,29H,16-20H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234374
((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...)Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/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
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50294695
((S)-2-acetoxy-3-(4-(2-(6-((methoxyimino)(phenyl)me...)Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](OC(C)=O)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C32H36N2O6/c1-22(35)40-29(31(36)37)20-23-10-13-26(14-11-23)39-19-18-34-17-16-32(2,3)27-21-25(12-15-28(27)34)30(33-38-4)24-8-6-5-7-9-24/h5-15,21,29H,16-20H2,1-4H3,(H,36,37)/b33-30+/t29-/m0/s1 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR GICC
Curated by ChEMBL
| Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma receptor |
Bioorg Med Chem Lett 19: 2683-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.143
BindingDB Entry DOI: 10.7270/Q2KP826B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50234379
(CHEMBL252995 | dimethyl 2-(4-(2-(6-benzoyl-4,4-dim...)Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H35NO6/c1-32(2)16-17-33(28-15-12-24(21-27(28)32)29(34)23-8-6-5-7-9-23)18-19-39-25-13-10-22(11-14-25)20-26(30(35)37-3)31(36)38-4/h5-15,21,26H,16-20H2,1-4H3 | PDB
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UniChem
Similars
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PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067
BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
MMDB
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| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7649
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1 Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23) | PDB
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| Article
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146924
(CHEMBL3765826)Show SMILES Oc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)NNC(=O)c4ccccc4O)c3C(=O)c12 Show InChI InChI=1S/C24H17N5O5/c30-13-10-8-12(9-11-13)20-19-21(27-26-20)15-5-3-6-16(18(15)22(19)32)25-24(34)29-28-23(33)14-4-1-2-7-17(14)31/h1-11,30-31H,(H,26,27)(H,28,33)(H2,25,29,34) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50186373
(CHEMBL424696 | N-(5-(2-(cyclohexyloxy)pyrimidin-4-...)Show InChI InChI=1S/C18H19N5OS/c1-2-6-13(7-3-1)24-17-20-11-9-14(22-17)15-12-21-18(25-15)23-16-8-4-5-10-19-16/h4-5,8-13H,1-3,6-7H2,(H,19,21,23) | PDB
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146925
(CHEMBL3765564)Show SMILES NC(=O)C(=O)NNC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N6O5/c20-17(28)18(29)24-25-19(30)21-11-3-1-2-10-12(11)16(27)13-14(22-23-15(10)13)8-4-6-9(26)7-5-8/h1-7,26H,(H2,20,28)(H,22,23)(H,24,29)(H2,21,25,30) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7646
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1 Show InChI InChI=1S/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146929
(CHEMBL3765805)Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-12(2)16(10-28)24-20-25-18(22-9-14-5-7-15(21)8-6-14)17-19(26-20)27(11-23-17)13(3)4/h5-8,11-13,16,28H,9-10H2,1-4H3,(H2,22,24,25,26)/t16-/m0/s1 | PDB
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| Article
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7645
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyr...)Show InChI InChI=1S/C18H15N5/c1-13-17(23-12-6-5-9-16(23)20-13)15-10-11-19-18(22-15)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146926
(CHEMBL3763230)Show SMILES Nc1ccc(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C24H18N4O3/c25-15-8-4-13(5-9-15)12-19(30)26-18-3-1-2-17-20(18)24(31)21-22(27-28-23(17)21)14-6-10-16(29)11-7-14/h1-11,29H,12,25H2,(H,26,30)(H,27,28) | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6276
(8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C23H28N6O/c1-27-12-14-28(15-13-27)19-9-7-18(8-10-19)25-23-24-16-17-6-11-21(30)29(22(17)26-23)20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,24,25,26) | PDB
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Similars
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3... |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50406883
(CHEMBL4177432)Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21) | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50406891
(CHEMBL4163110)Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21) | PDB
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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Article
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3... |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM59097
(Aminopyrimidine, 10)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25) | PDB
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| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6356
(8-Cyclopentyl-2-(4-piperidin-1-yl-phenylamino)-8H-...)Show SMILES O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26) | PDB
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| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6341
(2-Aminoquinazoline 20 | 8-cyclopentyl-7-methoxy-N-...)Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H29N5O/c1-30-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-14-12-25-13-15-29/h6-11,16-17,25H,2-5,12-15H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50406883
(CHEMBL4177432)Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50406891
(CHEMBL4163110)Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21) | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6347
(2-Aminoquinazoline 26 | 8-cyclopentyl-2-{[4-(piper...)Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27) | PDB
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| n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
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| n/a | n/a | 371 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3... |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
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| Article
PubMed
| n/a | n/a | 405 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | 708 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50406882
(CHEMBL4166554)Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21) | PDB
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| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate aft... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50406882
(CHEMBL4166554)Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21) | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6837
(indolocarbazole deriv. 13a | methyl 1-(2-{18-methy...)Show SMILES COC(=O)C1CCN(CCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1 Show InChI InChI=1S/C30H28N4O4/c1-33-12-8-17-6-7-20-22(27(17)33)24-23(28(35)32-29(24)36)21-19-5-3-4-16(25(19)31-26(20)21)9-13-34-14-10-18(11-15-34)30(37)38-2/h3-8,12,18,31H,9-11,13-15H2,1-2H3,(H,32,35,36) | PDB
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| n/a | n/a | 977 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50146854
(CHEMBL3764692)Show SMILES O=C(Cn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H13N7O/c26-16(14-8-22-18-12(14)4-2-6-20-18)10-25-15(9-23-24-25)13-7-21-17-11(13)3-1-5-19-17/h1-9H,10H2,(H,19,21)(H,20,22) | PDB
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3... |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50406885
(CHEMBL4170635)Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25) | PDB
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| PC cid
PC sid
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Similars
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PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based lu... |
Eur J Med Chem 154: 101-109 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM59095
(Aminopyrimidine, 7)Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24) | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) |
Eur J Med Chem 108: 701-19 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD |
More data for this
Ligand-Target Pair | |
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