Found 41 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | 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 | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | 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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | 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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assa... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assa... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assa... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assa... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B1 (unknown origin) |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclin A2 (unknown origin) |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 ce... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K72... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells us... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 ce... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells us... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells us... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells us... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K72... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K72... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 ce... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536931
(CHEMBL4578017)Show SMILES Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-4-3-5-16(12-15)24-20(27)13-29-17-10-8-14(9-11-17)21-25-19-7-2-1-6-18(19)22(28)26-21/h1-12H,13H2,(H,24,27)(H,25,26,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells us... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50536932
(CHEMBL4542308)Show SMILES COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H21N3O5/c1-30-19-10-6-5-9-18(19)25-22(28)14-32-20-12-11-15(13-21(20)31-2)23-26-17-8-4-3-7-16(17)24(29)27-23/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K72... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K72... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50536934
(CHEMBL4561548)Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 ce... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 ce... |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50536933
(CHEMBL4061054)Show SMILES COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O5S/c1-22-14-9-10(7-8-13(14)23-24(2,20)21)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9H,1-2H3,(H,17,18,19) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
De Montfort University
Curated by ChEMBL
| Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay |
Eur J Med Chem 165: 115-132 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.011 BindingDB Entry DOI: 10.7270/Q22R3W6D |
More data for this Ligand-Target Pair | |