Found 190 hits with Last Name = 'mintoo' and Initial = 'mj' 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | 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 PI3Kalpha (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | 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 PI3Kdelta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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 | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50263013
(CHEMBL4079206)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE 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 |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi... |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM384362
(US9932327, Compound 33)Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
Universita degli Studi di Firenze
| Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS... |
Bioorg Med Chem Lett 18: 2567-73 (2008)
BindingDB Entry DOI: 10.7270/Q25Q4ZDW |
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 | |
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) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| 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 PI3Kbeta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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MCE 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 PI3Kalpha/p85 iSH2 domain (unknown origin) expressed in baculovirus using l-alpha-phosphatidylinositol as substrate after 60 mins by ki... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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 1
(Homo sapiens (Human)) | BDBM50263013
(CHEMBL4079206)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin A (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE 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 PI3Kdelta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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)) | 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 | |
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 | |
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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50204093
(BAY 80-6946 | BAY-80-6946 | Copanlisib)Show SMILES COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18| Show InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6.40 | 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 PI3Kgamma (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE 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 |
CSIR-Indian Institute of Integrative Medicine
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50204104
(CHEMBL3979323)Show SMILES C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE 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 human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by ap... |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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)) | 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)) | 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) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM384375
(US9932327, Compound 34)Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
| Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS... |
Bioorg Med Chem Lett 18: 2567-73 (2008)
BindingDB Entry DOI: 10.7270/Q25Q4ZDW |
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 | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50263041
(CHEMBL4103469)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r| Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+/t10-,15+/m0/s1 | PDB MMDB
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 |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi... |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cell membranes by scintillation counting method |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM119531
(US11547697, Compound 529 | US9682141, 529 | US9682...)Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| 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 PI3Kalpha (unknown origin) |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
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-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50263013
(CHEMBL4079206)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE 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 |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK5/cyclin p25 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50263013
(CHEMBL4079206)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE 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 |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK5/cyclin p35 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
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 | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50263013
(CHEMBL4079206)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE 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 |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
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 by filter binding assay |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM384362
(US9932327, Compound 33)Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
| Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ... |
Bioorg Med Chem Lett 18: 2567-73 (2008)
BindingDB Entry DOI: 10.7270/Q25Q4ZDW |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM384357
(US9932327, Compound Flavopiridol)Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze
| Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS... |
Bioorg Med Chem Lett 18: 2567-73 (2008)
BindingDB Entry DOI: 10.7270/Q25Q4ZDW |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 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 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 | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193086
(CHEMBL3969723)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant C-terminal 6His-tagged human Cdk9/full-length human Cyclin T1 after 60 mins in presence of [33P]-gamma-ATP by f... |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | 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 mTOR (unknown origin) expressed in baculovirus after 60 mins by kinase-glo assay |
Eur J Med Chem 122: 731-743 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.006 BindingDB Entry DOI: 10.7270/Q2KS6TJ6 |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | 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 | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250829
(CHEMBL4090926)Show SMILES COc1ccc(CCNc2nccc(n2)-c2c[nH]c3ncccc23)cc1OC Show InChI InChI=1S/C21H21N5O2/c1-27-18-6-5-14(12-19(18)28-2)7-10-23-21-24-11-8-17(26-21)16-13-25-20-15(16)4-3-9-22-20/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,22,25)(H,23,24,26) | 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 | 22 | 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-dependent kinase 4/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50263013
(CHEMBL4079206)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India.
Curated by ChEMBL
| Assay Description Inhibition of CDK4/cyclin D3 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay |
J Med Chem 61: 1664-1687 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4 |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250826
(CHEMBL4084840)Show SMILES Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cc2ccccc2o1 Show InChI InChI=1S/C19H13N5O/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 | 23 | 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-T1/Cyclin-dependent kinase 9
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | 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 | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50250834
(CHEMBL4095974)Show InChI InChI=1S/C18H15N5S/c1-24-16-5-3-2-4-12(16)11-8-13-14(10-22-17(13)21-9-11)15-6-7-20-18(19)23-15/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 | 24 | 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-T1/Cyclin-dependent kinase 9
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| 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 |
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 | |