Found 15 hits with Last Name = 'chopra' and Initial = 'i' 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 |
Cyclin-dependent kinase 5
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5 |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM81208
(6-methoxy-N-(phenylmethyl)-1-propan-2-yl-4-benzimi...)Show InChI InChI=1S/C18H21N3O/c1-13(2)21-12-20-18-16(9-15(22-3)10-17(18)21)19-11-14-7-5-4-6-8-14/h4-10,12-13,19H,11H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM76780
(6-(1-methoxybutan-2-yloxy)-N-(phenylmethyl)-1-prop...)Show InChI InChI=1S/C22H29N3O2/c1-5-18(14-26-4)27-19-11-20(23-13-17-9-7-6-8-10-17)22-21(12-19)25(15-24-22)16(2)3/h6-12,15-16,18,23H,5,13-14H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334335
(2-(4-(benzylamino)-1-isopropyl-1H-benzo[d]imidazol...)Show InChI InChI=1S/C21H27N3O2/c1-4-17(13-25)26-18-10-19(22-12-16-8-6-5-7-9-16)21-20(11-18)24(14-23-21)15(2)3/h5-11,14-15,17,22,25H,4,12-13H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334340
(CHEMBL1643063 | N-Benzyl-1-isopropyl-6-(piperidin-...)Show InChI InChI=1S/C23H30N4O/c1-17(2)27-16-26-23-21(25-14-18-6-4-3-5-7-18)12-20(13-22(23)27)28-15-19-8-10-24-11-9-19/h3-7,12-13,16-17,19,24-25H,8-11,14-15H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM76779
(6-[(1-methyl-4-piperidinyl)methoxy]-N-(phenylmethy...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12 Show InChI InChI=1S/C24H32N4O/c1-18(2)28-17-26-24-22(25-15-19-7-5-4-6-8-19)13-21(14-23(24)28)29-16-20-9-11-27(3)12-10-20/h4-8,13-14,17-18,20,25H,9-12,15-16H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334339
(CHEMBL1358008 | N-Benzyl-6-(1-(dimethylamino)butan...)Show SMILES CCC(CN(C)C)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 Show InChI InChI=1S/C23H32N4O/c1-6-19(15-26(4)5)28-20-12-21(24-14-18-10-8-7-9-11-18)23-22(13-20)27(16-25-23)17(2)3/h7-13,16-17,19,24H,6,14-15H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334338
(CHEMBL1277151 | N-Benzyl-1-isopropyl-6-(2-methoxye...)Show InChI InChI=1S/C20H25N3O2/c1-15(2)23-14-22-20-18(21-13-16-7-5-4-6-8-16)11-17(12-19(20)23)25-10-9-24-3/h4-8,11-12,14-15,21H,9-10,13H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334337
(1-(4-(benzylamino)-1-isopropyl-1H-benzo[d]imidazol...)Show InChI InChI=1S/C21H27N3O2/c1-4-17(25)13-26-18-10-19(22-12-16-8-6-5-7-9-16)21-20(11-18)24(14-23-21)15(2)3/h5-11,14-15,17,22,25H,4,12-13H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334336
(2-(4-(Benzylamino)-1-isopropyl-1H-benzo[d]imidazol...)Show InChI InChI=1S/C19H23N3O2/c1-14(2)22-13-21-19-17(20-12-15-6-4-3-5-7-15)10-16(11-18(19)22)24-9-8-23/h3-7,10-11,13-14,20,23H,8-9,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334341
(CHEMBL1277150 | N-benzyl-6-butoxy-1-isopropyl-1H-b...)Show InChI InChI=1S/C21H27N3O/c1-4-5-11-25-18-12-19(22-14-17-9-7-6-8-10-17)21-20(13-18)24(15-23-21)16(2)3/h6-10,12-13,15-16,22H,4-5,11,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50334334
(CHEMBL1277149 | N-benzyl-1-isopropyl-6-propoxy-1H-...)Show InChI InChI=1S/C20H25N3O/c1-4-10-24-17-11-18(21-13-16-8-6-5-7-9-16)20-19(12-17)23(14-22-20)15(2)3/h5-9,11-12,14-15,21H,4,10,13H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM81206
(6-ethoxy-N-(phenylmethyl)-1-propan-2-yl-4-benzimid...)Show InChI InChI=1S/C19H23N3O/c1-4-23-16-10-17(20-12-15-8-6-5-7-9-15)19-18(11-16)22(13-21-19)14(2)3/h5-11,13-14,20H,4,12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting |
Bioorg Med Chem 19: 359-73 (2011)
Article DOI: 10.1016/j.bmc.2010.11.022 BindingDB Entry DOI: 10.7270/Q21G0MJC |
More data for this Ligand-Target Pair | |