Found 211 hits with Last Name = 'mahajan' 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 |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50421256
(CHEMBL2087874)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50568146
(CHEMBL1481541) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Noncompetitive inhibition of mushroom tyrosinase assessed as dissociation constant using L-DOPA as substrate by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116222 BindingDB Entry DOI: 10.7270/Q24171T1 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50421256
(CHEMBL2087874)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of human LCK using peptide poly[Glu:Tyr] (4:1) substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250824
(CHEMBL4101278)Show InChI InChI=1S/C15H11N5S/c16-15-17-3-1-13(20-15)12-7-19-14-11(12)5-10(6-18-14)9-2-4-21-8-9/h1-8H,(H,18,19)(H2,16,17,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067186
(CHEMBL3401745)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCCCO Show InChI InChI=1S/C23H33N5O5S/c1-4-10-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(11-12-19(17)33-5-2)34(31,32)24-13-8-6-7-9-14-29/h11-12,15,24,29H,4-10,13-14H2,1-3H3,(H,25,26,30) | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE3A (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067186
(CHEMBL3401745)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCCCO Show InChI InChI=1S/C23H33N5O5S/c1-4-10-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(11-12-19(17)33-5-2)34(31,32)24-13-8-6-7-9-14-29/h11-12,15,24,29H,4-10,13-14H2,1-3H3,(H,25,26,30) | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE10A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067195
(CHEMBL3401754)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCN1CCOCC1 Show InChI InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(7-8-19(17)34-5-2)35(31,32)24-9-10-29-11-13-33-14-12-29/h7-8,15,24H,4-6,9-14H2,1-3H3,(H,25,26,30) | 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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE4A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067187
(CHEMBL3401746)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCCO Show InChI InChI=1S/C22H31N5O5S/c1-4-9-17-19-20(27(3)26-17)22(29)25-21(24-19)16-14-15(10-11-18(16)32-5-2)33(30,31)23-12-7-6-8-13-28/h10-11,14,23,28H,4-9,12-13H2,1-3H3,(H,24,25,29) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant human PDE8A1 |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067188
(CHEMBL3401747)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCO Show InChI InChI=1S/C21H29N5O5S/c1-4-8-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(9-10-17(15)31-5-2)32(29,30)22-11-6-7-12-27/h9-10,13,22,27H,4-8,11-12H2,1-3H3,(H,23,24,28) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant human PDE7A1 |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM406408
(US10336734, Example 21)Show SMILES COc1ccccc1CCNc1nc(Nc2ccc(cc2OC)N2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClN6O2/c1-31-12-14-32(15-13-31)19-8-9-21(23(16-19)34-3)29-25-28-17-20(26)24(30-25)27-11-10-18-6-4-5-7-22(18)33-2/h4-9,16-17H,10-15H2,1-3H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50246164
(CHEMBL487242 | N3-(2,6-dimethylphenyl)-1-(3-methox...)Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C25H30N6O/c1-17-10-9-11-18(2)21(17)28-22-20-16-26-24(27-19-12-7-6-8-13-19)29-23(20)31(30-22)15-14-25(3,4)32-5/h6-13,16H,14-15H2,1-5H3,(H,28,30)(H,26,27,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
India Academy of Scientific & Innovative Research (AcSIR)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PI3K-delta |
Bioorg Med Chem Lett 28: 1005-1010 (2018)
Article DOI: 10.1016/j.bmcl.2018.02.032 BindingDB Entry DOI: 10.7270/Q29S1TN5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067194
(CHEMBL3401753)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C24H34N6O5S/c1-4-7-19-21-22(29(3)28-19)24(31)27-23(26-21)18-16-17(8-9-20(18)35-5-2)36(32,33)25-10-6-11-30-12-14-34-15-13-30/h8-9,16,25H,4-7,10-15H2,1-3H3,(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE3A (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM4552
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50568146
(CHEMBL1481541) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mushroom tyrosinase using L-DOPA as substrate |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116222 BindingDB Entry DOI: 10.7270/Q24171T1 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250823
(CHEMBL4065940)Show InChI InChI=1S/C15H11N5O/c16-15-17-3-1-13(20-15)12-7-19-14-11(12)5-10(6-18-14)9-2-4-21-8-9/h1-8H,(H,18,19)(H2,16,17,20) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067198
(CHEMBL3401757)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCc1ccc(OC)c(F)c1 Show InChI InChI=1S/C25H28FN5O5S/c1-5-7-19-22-23(31(3)30-19)25(32)29-24(28-22)17-13-16(9-11-20(17)36-6-2)37(33,34)27-14-15-8-10-21(35-4)18(26)12-15/h8-13,27H,5-7,14H2,1-4H3,(H,28,29,32) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant human PDE11A4 |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067189
(CHEMBL3401748)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCO Show InChI InChI=1S/C20H27N5O5S/c1-4-7-15-17-18(25(3)24-15)20(27)23-19(22-17)14-12-13(8-9-16(14)30-5-2)31(28,29)21-10-6-11-26/h8-9,12,21,26H,4-7,10-11H2,1-3H3,(H,22,23,27) | 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 | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant human PDE7A1 |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067190
(CHEMBL3401749)Show SMILES CCCCCCCNS(=O)(=O)c1ccc(OCC)c(c1)-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O4S/c1-5-8-9-10-11-15-25-34(31,32)17-13-14-20(33-7-3)18(16-17)23-26-21-19(12-6-2)28-29(4)22(21)24(30)27-23/h13-14,16,25H,5-12,15H2,1-4H3,(H,26,27,30) | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE6C (unknown origin) |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250837
(CHEMBL4063017)Show InChI InChI=1S/C20H19N5O/c1-26-15-6-4-14(5-7-15)8-11-22-20-23-12-9-18(25-20)17-13-24-19-16(17)3-2-10-21-19/h2-7,9-10,12-13H,8,11H2,1H3,(H,21,24)(H,22,23,25) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250815
(CHEMBL4089950)Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H12ClN5/c18-12-3-1-10(2-4-12)11-7-13-14(9-22-16(13)21-8-11)15-5-6-20-17(19)23-15/h1-9H,(H,21,22)(H2,19,20,23) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250814
(CHEMBL4068858)Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-12-3-1-10(2-4-12)11-7-13-14(9-25-16(13)24-8-11)15-5-6-23-17(22)26-15/h1-9H,(H,24,25)(H2,22,23,26) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250825
(CHEMBL4074567)Show InChI InChI=1S/C16H12N6/c17-16-19-5-3-14(22-16)13-9-21-15-12(13)6-11(8-20-15)10-2-1-4-18-7-10/h1-9H,(H,20,21)(H2,17,19,22) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50084464
(CHEMBL3426891)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of human TYK2 using KKSRGDYMTMQIG peptide substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM50067186
(CHEMBL3401745)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCCCO Show InChI InChI=1S/C23H33N5O5S/c1-4-10-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(11-12-19(17)33-5-2)34(31,32)24-13-8-6-7-9-14-29/h11-12,15,24,29H,4-10,13-14H2,1-3H3,(H,25,26,30) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE2A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250813
(CHEMBL4095226)Show InChI InChI=1S/C17H12FN5/c18-12-3-1-10(2-4-12)11-7-13-14(9-22-16(13)21-8-11)15-5-6-20-17(19)23-15/h1-9H,(H,21,22)(H2,19,20,23) | 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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of human PDE5A1 expressed in baculovirus in sf9 cells by PDE Glo phosphodiesterase assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of human PDE5A1 expressed in baculovirus in sf9 cells by PDE Glo phosphodiesterase assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50371402
(MERIOLIN 3)Show InChI InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50084464
(CHEMBL3426891)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r| Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) peptide substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of human LCK using peptide poly[Glu:Tyr] (4:1) substrate by 33P Hotspot assay |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250816
(CHEMBL4097680)Show SMILES COc1ccc(cc1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI InChI=1S/C18H15N5O/c1-24-13-4-2-11(3-5-13)12-8-14-15(10-22-17(14)21-9-12)16-6-7-20-18(19)23-16/h2-10H,1H3,(H,21,22)(H2,19,20,23) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM406407
(US10336734, Example 20)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCCc2c(F)cccc2Cl)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27Cl2FN6O/c1-32-10-12-33(13-11-32)16-6-7-21(22(14-16)34-2)30-24-29-15-19(26)23(31-24)28-9-8-17-18(25)4-3-5-20(17)27/h3-7,14-15H,8-13H2,1-2H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Inc
US Patent
| Assay Description Enzyme-Linked Immunosorbent Assay. |
US Patent US10336734 (2019)
BindingDB Entry DOI: 10.7270/Q2N87D4P |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250812
(CHEMBL4067806)Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)12-3-1-10(2-4-12)11-7-13-14(9-25-16(13)24-8-11)15-5-6-23-17(22)26-15/h1-9H,(H,24,25)(H2,22,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250820
(CHEMBL4077931)Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F3N5/c19-18(20,21)12-3-1-2-10(6-12)11-7-13-14(9-25-16(13)24-8-11)15-4-5-23-17(22)26-15/h1-9H,(H,24,25)(H2,22,23,26) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250817
(CHEMBL4079646)Show SMILES CSc1ccc(cc1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI InChI=1S/C18H15N5S/c1-24-13-4-2-11(3-5-13)12-8-14-15(10-22-17(14)21-9-12)16-6-7-20-18(19)23-16/h2-10H,1H3,(H,21,22)(H2,19,20,23) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250830
(CHEMBL4090021)Show SMILES C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C21H18N6/c1-2-6-18-15(4-1)14(12-25-18)7-10-23-21-24-11-8-19(27-21)17-13-26-20-16(17)5-3-9-22-20/h1-6,8-9,11-13,25H,7,10H2,(H,22,26)(H,23,24,27) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250828
(CHEMBL4098661)Show InChI InChI=1S/C19H17N5/c1-2-5-14(6-3-1)8-11-21-19-22-12-9-17(24-19)16-13-23-18-15(16)7-4-10-20-18/h1-7,9-10,12-13H,8,11H2,(H,20,23)(H,21,22,24) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50371402
(MERIOLIN 3)Show InChI InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description Inhibition of ACK1 kinase (unknown origin) |
J Med Chem 58: 2746-63 (2015)
Article DOI: 10.1021/jm501929n BindingDB Entry DOI: 10.7270/Q2H996XC |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067191
(CHEMBL3401750)Show SMILES CCCCCCNS(=O)(=O)c1ccc(OCC)c(c1)-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C23H33N5O4S/c1-5-8-9-10-14-24-33(30,31)16-12-13-19(32-7-3)17(15-16)22-25-20-18(11-6-2)27-28(4)21(20)23(29)26-22/h12-13,15,24H,5-11,14H2,1-4H3,(H,25,26,29) | 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 |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE6C (unknown origin) |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250836
(CHEMBL4063190)Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cc2ccccc2s1 Show InChI InChI=1S/C19H13N5S/c20-19-21-6-5-15(24-19)14-10-23-18-13(14)7-12(9-22-18)17-8-11-3-1-2-4-16(11)25-17/h1-10H,(H,22,23)(H2,20,21,24) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067197
(CHEMBL3401756)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C27H30N6O4S/c1-4-8-22-24-25(33(3)32-22)27(34)31-26(30-24)20-15-18(11-12-23(20)37-5-2)38(35,36)29-14-13-17-16-28-21-10-7-6-9-19(17)21/h6-7,9-12,15-16,28-29H,4-5,8,13-14H2,1-3H3,(H,30,31,34) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant human PDE11A4 |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067193
(CHEMBL3401752)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCN(C)C Show InChI InChI=1S/C22H32N6O4S/c1-6-9-17-19-20(28(5)26-17)22(29)25-21(24-19)16-14-15(10-11-18(16)32-7-2)33(30,31)23-12-8-13-27(3)4/h10-11,14,23H,6-9,12-13H2,1-5H3,(H,24,25,29) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE5A1 (unknown origin) |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250819
(CHEMBL4071557)Show InChI InChI=1S/C17H12FN5/c18-12-3-1-2-10(6-12)11-7-13-14(9-22-16(13)21-8-11)15-4-5-20-17(19)23-15/h1-9H,(H,21,22)(H2,19,20,23) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250827
(CHEMBL4071643)Show SMILES COc1ccc2[nH]c(cc2c1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI InChI=1S/C20H16N6O/c1-27-13-2-3-16-11(6-13)8-18(25-16)12-7-14-15(10-24-19(14)23-9-12)17-4-5-22-20(21)26-17/h2-10,25H,1H3,(H,23,24)(H2,21,22,26) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP |
J Med Chem 60: 9470-9489 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00663 BindingDB Entry DOI: 10.7270/Q2WH2SDH |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50067196
(CHEMBL3401755)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCN1CCCCC1 Show InChI InChI=1S/C24H34N6O4S/c1-4-9-19-21-22(29(3)28-19)24(31)27-23(26-21)18-16-17(10-11-20(18)34-5-2)35(32,33)25-12-15-30-13-7-6-8-14-30/h10-11,16,25H,4-9,12-15H2,1-3H3,(H,26,27,31) | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PDE2A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay |
Bioorg Med Chem 23: 2121-8 (2015)
Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN |
More data for this Ligand-Target Pair | |
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50568147
(CHEMBL4877433) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mushroom tyrosinase using L-DOPA as substrate |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116222 BindingDB Entry DOI: 10.7270/Q24171T1 |
More data for this Ligand-Target Pair | |
Polyphenol oxidase 2
(Agaricus bisporus (Common mushroom)) | BDBM50568150
(CHEMBL4857732) | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mushroom tyrosinase using L-DOPA as substrate |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116222 BindingDB Entry DOI: 10.7270/Q24171T1 |
More data for this Ligand-Target Pair | |