Found 361 hits with Last Name = 'storici' and Initial = 'p' 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 |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
![PNG](/data/jpeg/tenK49/BindingDB_496902.png) (CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM510049
![PNG](/data/jpeg/tenK51/BindingDB_510049.png) ('WO2021205298, Compound 49 | (3S)-3-({N-[(4-methox...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COP(O)(O)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
| | 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318088
![PNG](/data/jpeg/tenK5031/BindingDB_50318088.png) (8-[(3-Acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-...)Show SMILES CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C19H18N6O2/c1-10(26)11-4-3-5-13(8-11)22-19-21-9-12-6-7-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-5,8-9H,6-7H2,1-2H3,(H2,20,27)(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318087
![PNG](/data/jpeg/tenK5031/BindingDB_50318087.png) (8-(Phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quin...)Show InChI InChI=1S/C16H14N6O/c17-15(23)14-11-7-6-9-8-18-16(19-10-4-2-1-3-5-10)20-12(9)13(11)21-22-14/h1-5,8H,6-7H2,(H2,17,23)(H,21,22)(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50318085
![PNG](/data/jpeg/tenK5031/BindingDB_50318085.png) (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318089
![PNG](/data/jpeg/tenK5031/BindingDB_50318089.png) (8-[(4-Acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-...)Show SMILES CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1 Show InChI InChI=1S/C19H18N6O2/c1-10(26)11-3-6-13(7-4-11)22-19-21-9-12-5-8-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-4,6-7,9H,5,8H2,1-2H3,(H2,20,27)(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM31532
![PNG](/data/jpeg/tenK3/BindingDB_31532.png) (pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50602863
![PNG](/data/jpeg/tenK5060/BindingDB_50602863.png) (CHEMBL1997924)Show SMILES C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114054 BindingDB Entry DOI: 10.7270/Q20K2DM8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM13216
![PNG](/data/jpeg/tenK1/BindingDB_13216.png) (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114054 BindingDB Entry DOI: 10.7270/Q20K2DM8 |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318085
![PNG](/data/jpeg/tenK5031/BindingDB_50318085.png) (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318080
![PNG](/data/jpeg/tenK5031/BindingDB_50318080.png) (1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4...)Show InChI InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318090
![PNG](/data/jpeg/tenK5031/BindingDB_50318090.png) (1-Methyl-8-{[4-(trifluoromethyl)phenyl]amino}-4,5-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O/c1-27-15-12(14(26-27)16(22)28)7-2-9-8-23-17(25-13(9)15)24-11-5-3-10(4-6-11)18(19,20)21/h3-6,8H,2,7H2,1H3,(H2,22,28)(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318091
![PNG](/data/jpeg/tenK5031/BindingDB_50318091.png) (8-[(4-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)Show SMILES COc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1 Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)8-3-10-9-20-18(22-14(10)16)21-11-4-6-12(26-2)7-5-11/h4-7,9H,3,8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50602863
![PNG](/data/jpeg/tenK5060/BindingDB_50602863.png) (CHEMBL1997924)Show SMILES C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114054 BindingDB Entry DOI: 10.7270/Q20K2DM8 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50325983
![PNG](/data/jpeg/tenK5032/BindingDB_50325983.png) (6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114054 BindingDB Entry DOI: 10.7270/Q20K2DM8 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318092
![PNG](/data/jpeg/tenK5031/BindingDB_50318092.png) (8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihyd...)Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318094
![PNG](/data/jpeg/tenK5031/BindingDB_50318094.png) (1-Methyl-8-[(3-nitrophenyl)amino]-4,5-dihydro-1H-p...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)[N+]([O-])=O)nc3-c12 Show InChI InChI=1S/C17H15N7O3/c1-23-15-12(14(22-23)16(18)25)6-5-9-8-19-17(21-13(9)15)20-10-3-2-4-11(7-10)24(26)27/h2-4,7-8H,5-6H2,1H3,(H2,18,25)(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50327930
![PNG](/data/jpeg/tenK5032/BindingDB_50327930.png) (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)Show SMILES C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C25H25N5O3S/c1-16(17-5-3-2-4-6-17)26-25(32)21-15-20-22(34-21)23(29-28-20)27-24(31)18-7-9-19(10-8-18)30-11-13-33-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,26,32)(H2,27,28,29,31)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of AurA |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318093
![PNG](/data/jpeg/tenK5031/BindingDB_50318093.png) (8-[(3-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)Show SMILES COc1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1 Show InChI InChI=1S/C18H18N6O2/c1-24-16-13(15(23-24)17(19)25)7-6-10-9-20-18(22-14(10)16)21-11-4-3-5-12(8-11)26-2/h3-5,8-9H,6-7H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12103
![PNG](/data/jpeg/tenK1/BindingDB_12103.png) (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 11 | 4-te...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1 Show InChI InChI=1S/C22H24N4O2S/c1-22(2,3)15-8-6-14(7-9-15)21(28)23-20-17-12-26(13-18(17)24-25-20)19(27)11-16-5-4-10-29-16/h4-10H,11-13H2,1-3H3,(H2,23,24,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Nerviano Medical Sciences
| Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 3080-4 (2005)
Article DOI: 10.1021/jm049076m BindingDB Entry DOI: 10.7270/Q2FF3QKK |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12983
![PNG](/data/jpeg/tenK1/BindingDB_12983.png) (5-Amido-pyrrolopyrazole 9b | CHEMBL385872 | N-{5-[...)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C25H28N6O3/c1-29-11-13-30(14-12-29)19-9-7-18(8-10-19)24(33)26-23-20-15-31(16-21(20)27-28-23)25(34)22(32)17-5-3-2-4-6-17/h2-10,22,32H,11-16H2,1H3,(H2,26,27,28,33)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Nerviano Medical Sciences
| Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 49: 7247-51 (2006)
Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50318092
![PNG](/data/jpeg/tenK5031/BindingDB_50318092.png) (8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihyd...)Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318095
![PNG](/data/jpeg/tenK5031/BindingDB_50318095.png) (1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12 Show InChI InChI=1S/C18H15F3N6O/c1-27-15-12(14(26-27)16(22)28)6-5-9-8-23-17(25-13(9)15)24-11-4-2-3-10(7-11)18(19,20)21/h2-4,7-8H,5-6H2,1H3,(H2,22,28)(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50327929
![PNG](/data/jpeg/tenK5032/BindingDB_50327929.png) (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)Show SMILES C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O2S/c1-17(18-6-4-3-5-7-18)27-26(34)22-16-21-23(35-22)24(30-29-21)28-25(33)19-8-10-20(11-9-19)32-14-12-31(2)13-15-32/h3-11,16-17H,12-15H2,1-2H3,(H,27,34)(H2,28,29,30,33)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of AurA |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50318085
![PNG](/data/jpeg/tenK5031/BindingDB_50318085.png) (1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318074
![PNG](/data/jpeg/tenK5031/BindingDB_50318074.png) (8-[(2-Aminophenyl)amino]-1-methyl-4,5-dihydro-1H-p...)Show InChI InChI=1S/C17H17N7O/c1-24-15-10(14(23-24)16(19)25)7-6-9-8-20-17(22-13(9)15)21-12-5-3-2-4-11(12)18/h2-5,8H,6-7,18H2,1H3,(H2,19,25)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318096
![PNG](/data/jpeg/tenK5031/BindingDB_50318096.png) (1-Cyclohexyl-8-(phenylamino)-4,5-dihydro-1H-pyrazo...)Show SMILES NC(=O)c1nn(C2CCCCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C22H24N6O/c23-21(29)19-17-12-11-14-13-24-22(25-15-7-3-1-4-8-15)26-18(14)20(17)28(27-19)16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12H2,(H2,23,29)(H,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM41575
![PNG](/data/jpeg/tenK4/BindingDB_41575.png) (CHEMBL1094408 | US8614220, A85B1C1Z)Show SMILES COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H19F3N4O4/c1-12-16(13(2)33-28-12)10-29-17-5-4-15(7-18(17)32-11-20(29)30)21(31)27-9-14-3-6-19(26-8-14)22(23,24)25/h3-8H,9-11H2,1-2H3,(H,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318062
![PNG](/data/jpeg/tenK5031/BindingDB_50318062.png) (8-[(2-Fluorophenyl)amino]-1-methyl-4,5-dihydro-1H-...)Show InChI InChI=1S/C17H15FN6O/c1-24-15-10(14(23-24)16(19)25)7-6-9-8-20-17(22-13(9)15)21-12-5-3-2-4-11(12)18/h2-5,8H,6-7H2,1H3,(H2,19,25)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM31532
![PNG](/data/jpeg/tenK3/BindingDB_31532.png) (pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50327928
![PNG](/data/jpeg/tenK5032/BindingDB_50327928.png) (3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMI...)Show SMILES CC[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of AurA |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12982
![PNG](/data/jpeg/tenK1/BindingDB_12982.png) (5-Amido-pyrrolopyrazole 9a | CHEMBL385266 | N-{5-[...)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](F)c1ccccc1 |r| Show InChI InChI=1S/C25H27FN6O2/c1-30-11-13-31(14-12-30)19-9-7-18(8-10-19)24(33)27-23-20-15-32(16-21(20)28-29-23)25(34)22(26)17-5-3-2-4-6-17/h2-10,22H,11-16H2,1H3,(H2,27,28,29,33)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Nerviano Medical Sciences
| Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 49: 7247-51 (2006)
Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50602863
![PNG](/data/jpeg/tenK5060/BindingDB_50602863.png) (CHEMBL1997924)Show SMILES C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114054 BindingDB Entry DOI: 10.7270/Q20K2DM8 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM228619
![PNG](/data/jpeg/tenK22/BindingDB_228619.png) (US9345789, Z-DEVD-FMK)Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)
| Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.12.16.422677
BindingDB Entry DOI: 10.7270/Q26M39VR |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM46060
![PNG](/data/jpeg/tenK4/BindingDB_46060.png) (2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...)Show InChI InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)
| Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.12.16.422677
BindingDB Entry DOI: 10.7270/Q26M39VR |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50327923
![PNG](/data/jpeg/tenK5032/BindingDB_50327923.png) (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)Show SMILES CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of AurA |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM228619
![PNG](/data/jpeg/tenK22/BindingDB_228619.png) (US9345789, Z-DEVD-FMK)Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)
| Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ... |
bioRxiv 2020: (2020)
Article DOI: 10.1101/2020.12.16.422677
BindingDB Entry DOI: 10.7270/Q26M39VR |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50327927
![PNG](/data/jpeg/tenK5032/BindingDB_50327927.png) (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)Show SMILES O=C(NCc1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 Show InChI InChI=1S/C24H23N5O3S/c30-23(17-6-8-18(9-7-17)29-10-12-32-13-11-29)26-22-21-19(27-28-22)14-20(33-21)24(31)25-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,25,31)(H2,26,27,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of AurA |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50318061
![PNG](/data/jpeg/tenK5031/BindingDB_50318061.png) (1-Methyl-8-{[2-(methylamino)phenyl]amino}-4,5-dihy...)Show InChI InChI=1S/C18H19N7O/c1-20-12-5-3-4-6-13(12)22-18-21-9-10-7-8-11-15(17(19)26)24-25(2)16(11)14(10)23-18/h3-6,9,20H,7-8H2,1-2H3,(H2,19,26)(H,21,22,23) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50308060
![PNG](/data/jpeg/tenK5030/BindingDB_50308060.png) (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL MCE PC cid PC sid PDB UniChem
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114054 BindingDB Entry DOI: 10.7270/Q20K2DM8 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50318074
![PNG](/data/jpeg/tenK5031/BindingDB_50318074.png) (8-[(2-Aminophenyl)amino]-1-methyl-4,5-dihydro-1H-p...)Show InChI InChI=1S/C17H17N7O/c1-24-15-10(14(23-24)16(19)25)7-6-9-8-20-17(22-13(9)15)21-12-5-3-2-4-11(12)18/h2-5,8H,6-7,18H2,1H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50318061
![PNG](/data/jpeg/tenK5031/BindingDB_50318061.png) (1-Methyl-8-{[2-(methylamino)phenyl]amino}-4,5-dihy...)Show InChI InChI=1S/C18H19N7O/c1-20-12-5-3-4-6-13(12)22-18-21-9-10-7-8-11-15(17(19)26)24-25(2)16(11)14(10)23-18/h3-6,9,20H,7-8H2,1-2H3,(H2,19,26)(H,21,22,23) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50318074
![PNG](/data/jpeg/tenK5031/BindingDB_50318074.png) (8-[(2-Aminophenyl)amino]-1-methyl-4,5-dihydro-1H-p...)Show InChI InChI=1S/C17H17N7O/c1-24-15-10(14(23-24)16(19)25)7-6-9-8-20-17(22-13(9)15)21-12-5-3-2-4-11(12)18/h2-5,8H,6-7,18H2,1H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50327915
![PNG](/data/jpeg/tenK5032/BindingDB_50327915.png) (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...)Show SMILES C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O2S/c1-17(18-6-4-3-5-7-18)27-26(34)22-16-21-23(35-22)24(30-29-21)28-25(33)19-8-10-20(11-9-19)32-14-12-31(2)13-15-32/h3-11,16-17H,12-15H2,1-2H3,(H,27,34)(H2,28,29,30,33)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of AurA |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM12985
![PNG](/data/jpeg/tenK1/BindingDB_12985.png) (5-Amido-pyrrolopyrazole 9d | CHEMBL402548 | N-{5-[...)Show SMILES CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Nerviano Medical Sciences
| Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 49: 7247-51 (2006)
Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50318081
![PNG](/data/jpeg/tenK5031/BindingDB_50318081.png) (8-[(2-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)Show InChI InChI=1S/C18H18N6O2/c1-24-16-11(15(23-24)17(19)25)8-7-10-9-20-18(22-14(10)16)21-12-5-3-4-6-13(12)26-2/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50327912
![PNG](/data/jpeg/tenK5032/BindingDB_50327912.png) (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...)Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r| Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences-Oncology
Curated by ChEMBL
| Assay Description Inhibition of FGFR1 |
Bioorg Med Chem 18: 7113-20 (2010)
Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM |
More data for this Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50318097
![PNG](/data/jpeg/tenK5031/BindingDB_50318097.png) (1-Methyl-8-[(4-nitrophenyl)amino]-4,5-dihydro-1H-p...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)[N+]([O-])=O)nc3-c12 Show InChI InChI=1S/C17H15N7O3/c1-23-15-12(14(22-23)16(18)25)7-2-9-8-19-17(21-13(9)15)20-10-3-5-11(6-4-10)24(26)27/h3-6,8H,2,7H2,1H3,(H2,18,25)(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM31532
![PNG](/data/jpeg/tenK3/BindingDB_31532.png) (pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK2
(Homo sapiens (Human)) | BDBM50318076
![PNG](/data/jpeg/tenK5031/BindingDB_50318076.png) (1-Methyl-8-{[2-(methylsulfanyl)phenyl]amino}-4,5-d...)Show InChI InChI=1S/C18H18N6OS/c1-24-16-11(15(23-24)17(19)25)8-7-10-9-20-18(22-14(10)16)21-12-5-3-4-6-13(12)26-2/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting |
J Med Chem 53: 3532-51 (2010)
Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D |
More data for this Ligand-Target Pair | |