Found 231 hits with Last Name = 'leclerc' and Initial = 's' 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 |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391055
(CHEMBL2088399)Show InChI InChI=1S/C19H20N2O2S/c1-19(2,3)13-6-4-12(5-7-13)18(23)20-14-8-9-16-15(10-14)21-17(11-22)24-16/h4-10,22H,11H2,1-3H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk5/p35 |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk2/cyclin A |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk2/cyclin E |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391031
(CHEMBL2088393)Show InChI InChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391029
(CHEMBL2088391)Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-3-1-9(2-4-10)15(23)20-11-5-6-13-12(7-11)21-14(8-22)24-13/h1-7,22H,8H2,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391027
(CHEMBL2088401)Show InChI InChI=1S/C15H11BrN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391025
(CHEMBL2088398)Show InChI InChI=1S/C19H20N2OS/c1-12-20-16-11-15(9-10-17(16)23-12)21-18(22)13-5-7-14(8-6-13)19(2,3)4/h5-11H,1-4H3,(H,21,22) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391032
(CHEMBL2088394)Show InChI InChI=1S/C18H18N2O3S/c1-11(2)23-14-6-3-12(4-7-14)18(22)19-13-5-8-16-15(9-13)20-17(10-21)24-16/h3-9,11,21H,10H2,1-2H3,(H,19,22) | 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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk2/cyclin E |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Cdc2
(Asterina pectinifera) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391040
(CHEMBL2088406)Show SMILES OCc1nc2cc(NC(=O)c3ccc(OCC(F)(F)F)nc3)ccc2s1 Show InChI InChI=1S/C16H12F3N3O3S/c17-16(18,19)8-25-13-4-1-9(6-20-13)15(24)21-10-2-3-12-11(5-10)22-14(7-23)26-12/h1-6,23H,7-8H2,(H,21,24) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391052
(CHEMBL2088419)Show InChI InChI=1S/C19H20N2O3S/c1-11(2)24-14-5-6-15(12(3)8-14)19(23)20-13-4-7-17-16(9-13)21-18(10-22)25-17/h4-9,11,22H,10H2,1-3H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cdc2
(Asterina pectinifera) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391037
(CHEMBL2088403)Show SMILES CC(C)(C)OCc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1 Show InChI InChI=1S/C20H22N2O3S/c1-20(2,3)25-12-13-4-6-14(7-5-13)19(24)21-15-8-9-17-16(10-15)22-18(11-23)26-17/h4-10,23H,11-12H2,1-3H3,(H,21,24) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391053
(CHEMBL2088420)Show InChI InChI=1S/C16H13BrN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21) | 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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391026
(CHEMBL2088400)Show InChI InChI=1S/C15H11ClN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk2/cyclin A |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk5/p35 |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Saccharomyces cerevisiae) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae cdc28 |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391039
(CHEMBL2088405)Show InChI InChI=1S/C19H20N4O2S/c24-12-18-22-15-10-14(5-6-16(15)26-18)21-19(25)13-4-7-17(20-11-13)23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12H2,(H,21,25) | 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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391051
(CHEMBL2088418)Show InChI InChI=1S/C16H13ClN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21) | 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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391041
(CHEMBL2088407)Show InChI InChI=1S/C14H11F3N4O2S/c1-21-9(5-11(20-21)14(15,16)17)13(23)18-7-2-3-10-8(4-7)19-12(6-22)24-10/h2-5,22H,6H2,1H3,(H,18,23) | 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 | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7526
(2,6,9-Trisubstituted purine deriv. 21 | CHEMBL3085...)Show SMILES CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H25IN6O/c1-13(2)27-12-23-17-18(22-10-14-5-3-6-15(21)9-14)24-20(25-19(17)27)26-8-4-7-16(26)11-28/h3,5-6,9,12-13,16,28H,4,7-8,10-11H2,1-2H3,(H,22,24,25)/t16-/m1/s1 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7585
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391028
(CHEMBL2088390)Show InChI InChI=1S/C17H12N2O2S/c1-2-11-3-5-12(6-4-11)17(21)18-13-7-8-15-14(9-13)19-16(10-20)22-15/h1,3-9,20H,10H2,(H,18,21) | 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 | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7553
(1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-y...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1 Show InChI InChI=1S/C23H27N5O/c1-17(2)28-16-25-20-21(24-15-18-9-5-3-6-10-18)26-19(27-22(20)28)11-14-23(29)12-7-4-8-13-23/h3,5-6,9-10,16-17,29H,4,7-8,12-13,15H2,1-2H3,(H,24,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7555
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis. |
J Med Chem 40: 408-12 (1997)
Article DOI: 10.1021/jm960666x BindingDB Entry DOI: 10.7270/Q2GF0SNG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7554
(5-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)Show InChI InChI=1S/C20H23N5O/c1-15(2)25-14-22-18-19(21-13-16-9-5-3-6-10-16)23-17(24-20(18)25)11-7-4-8-12-26/h3,5-6,9-10,14-15,26H,4,8,12-13H2,1-2H3,(H,21,23,24) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391054
(CHEMBL2088411)Show SMILES CC(O)c1nc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2s1 Show InChI InChI=1S/C20H22N2O2S/c1-12(23)19-22-16-11-15(9-10-17(16)25-19)21-18(24)13-5-7-14(8-6-13)20(2,3)4/h5-12,23H,1-4H3,(H,21,24) | 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 | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cdc2
(Asterina pectinifera) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50113707
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid UniChem
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7556
(4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]b...)Show InChI InChI=1S/C19H21N5O/c1-14(2)24-13-21-17-18(20-12-15-8-4-3-5-9-15)22-16(23-19(17)24)10-6-7-11-25/h3-5,8-9,13-14,25H,7,11-12H2,1-2H3,(H,20,22,23) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7523
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)Show InChI InChI=1S/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391038
(CHEMBL2088404)Show InChI InChI=1S/C15H10F3N3O2S/c16-15(17,18)12-4-1-8(6-19-12)14(23)20-9-2-3-11-10(5-9)21-13(7-22)24-11/h1-6,22H,7H2,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | 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
UniProtKB/SwissProt
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7526
(2,6,9-Trisubstituted purine deriv. 21 | CHEMBL3085...)Show SMILES CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H25IN6O/c1-13(2)27-12-23-17-18(22-10-14-5-3-6-15(21)9-14)24-20(25-19(17)27)26-8-4-7-16(26)11-28/h3,5-6,9,12-13,16,28H,4,7-8,10-11H2,1-2H3,(H,22,24,25)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | 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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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50391036
(CHEMBL2088402)Show InChI InChI=1S/C18H18N2O3S/c1-2-23-11-12-3-5-13(6-4-12)18(22)19-14-7-8-16-15(9-14)20-17(10-21)24-16/h3-9,21H,2,10-11H2,1H3,(H,19,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay |
Bioorg Med Chem Lett 22: 6205-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.018 BindingDB Entry DOI: 10.7270/Q29C6ZGB |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM7529
(2,6,9-Trisubstituted purine deriv. 24 | CHEMBL3085...)Show SMILES OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r| Show InChI InChI=1S/C22H28N6O/c29-14-18-11-6-12-27(18)22-25-20(23-13-16-7-2-1-3-8-16)19-21(26-22)28(15-24-19)17-9-4-5-10-17/h1-3,7-8,15,17-18,29H,4-6,9-14H2,(H,23,25,26)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | |
Cdc2
(Asterina pectinifera) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | UniProtKB/TrEMBL
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7558
(1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-y...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C22H25N5O/c1-16(2)27-15-24-19-20(23-14-17-8-4-3-5-9-17)25-18(26-21(19)27)10-13-22(28)11-6-7-12-22/h3-5,8-9,15-16,28H,6-7,11-12,14H2,1-2H3,(H,23,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7557
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)Show InChI InChI=1S/C20H23N5O/c1-4-16(26)10-11-17-23-19(21-12-15-8-6-5-7-9-15)18-20(24-17)25(13-22-18)14(2)3/h5-9,13-14,16,26H,4,12H2,1-3H3,(H,21,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7534
(1H-pyrazolo[3,4-b]quinoxalin-3-amine | pyrazolo[3,...)Show InChI InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14) | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Universidad de Navarra
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 10: 2177-84 (2002)
Article DOI: 10.1016/S0968-0896(02)00069-X BindingDB Entry DOI: 10.7270/Q2ZG6QFX |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7559
(4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1 Show InChI InChI=1S/C25H25N5O/c1-18(2)30-17-27-22-23(26-16-19-10-6-4-7-11-19)28-21(29-24(22)30)14-15-25(3,31)20-12-8-5-9-13-20/h4-13,17-18,31H,16H2,1-3H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem Lett 8: 793-8 (1998)
Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM7515
(2,6,9-Trisubstituted purine deriv. 10 | [(2R)-1-[6...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H26N6O/c1-14(2)26-13-22-17-18(21-11-15-7-4-3-5-8-15)23-20(24-19(17)26)25-10-6-9-16(25)12-27/h3-5,7-8,13-14,16,27H,6,9-12H2,1-2H3,(H,21,23,24)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | 30 |
Institut Curie
| Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... |
Bioorg Med Chem 7: 1281-93 (1999)
Article DOI: 10.1016/S0968-0896(99)00064-4 BindingDB Entry DOI: 10.7270/Q23776X6 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7585
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)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) | PDB
Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis. |
J Med Chem 40: 408-12 (1997)
Article DOI: 10.1021/jm960666x BindingDB Entry DOI: 10.7270/Q2GF0SNG |
More data for this Ligand-Target Pair | |