Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50002472 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 |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458963
(CHEMBL4209902)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458969
(CHEMBL4207165)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C26H37N7O3/c1-7-20-25(35)32(5)21-15-27-26(30-23(21)33(20)16(2)3)29-19-9-8-17(14-22(19)36-6)24(34)28-18-10-12-31(4)13-11-18/h8-9,14-16,18,20H,7,10-13H2,1-6H3,(H,28,34)(H,27,29,30)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458971
(CHEMBL4215729)Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(3)24-18-30-29(33-26(24)36(23)21-9-7-6-8-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(2)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458968
(CHEMBL4216442)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1=CCN(C)C=C1 |r,c:39,t:34| Show InChI InChI=1S/C27H33N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-13,15-17,20H,5-8,14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458967
(CHEMBL4202820)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C28H39N7O3/c1-18-27(37)34(3)23-17-29-28(32-25(23)35(18)21-8-6-5-7-9-21)31-22-11-10-19(16-24(22)38-4)26(36)30-20-12-14-33(2)15-13-20/h10-11,16-18,20-21H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458960
(CHEMBL4216875)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458962
(CHEMBL4213276)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C26H35N7O3/c1-16-25(35)32(2)21-15-28-26(31-23(21)33(16)19-6-4-5-7-19)30-20-9-8-17(14-22(20)36-3)24(34)29-18-10-12-27-13-11-18/h8-9,14-16,18-19,27H,4-7,10-13H2,1-3H3,(H,29,34)(H,28,30,31)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458951
(CHEMBL4206171)Show SMILES CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C29H41N7O3/c1-5-8-23-28(38)35(3)24-18-30-29(33-26(24)36(23)21-9-6-7-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(2)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458965
(CHEMBL4210571)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C25H35N7O3/c1-16-24(34)31(4)20-15-27-25(29-22(20)32(16)18-8-6-7-9-18)28-19-11-10-17(14-21(19)35-5)23(33)26-12-13-30(2)3/h10-11,14-16,18H,6-9,12-13H2,1-5H3,(H,26,33)(H,27,28,29)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458964
(CHEMBL4206052)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C25H35N7O3/c1-15(2)32-16(3)24(34)31(5)20-14-26-25(29-22(20)32)28-19-8-7-17(13-21(19)35-6)23(33)27-18-9-11-30(4)12-10-18/h7-8,13-16,18H,9-12H2,1-6H3,(H,27,33)(H,26,28,29)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458952
(CHEMBL4203571)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H34N6O3/c1-19-28(37)34(2)24-18-31-29(33-26(24)35(19)22-11-7-8-12-22)32-23-14-13-21(17-25(23)38-3)27(36)30-16-15-20-9-5-4-6-10-20/h4-6,9-10,13-14,17-19,22H,7-8,11-12,15-16H2,1-3H3,(H,30,36)(H,31,32,33)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458966
(CHEMBL4207437)Show SMILES C[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112336
(CHEMBL3609305)Show SMILES CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458959
(CHEMBL4214823)Show SMILES CC[C@H]1N(C2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2NC1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-4-23-27(37)31-22-17-29-28(33-25(22)35(23)20-8-6-5-7-9-20)32-21-11-10-18(16-24(21)38-3)26(36)30-19-12-14-34(2)15-13-19/h10-11,16-17,19-20,23H,4-9,12-15H2,1-3H3,(H,30,36)(H,31,37)(H,29,32,33)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458966
(CHEMBL4207437)Show SMILES C[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458955
(CHEMBL4209192)Show SMILES CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C33H47N7O3/c1-4-9-27-32(42)39(3)28-21-34-33(37-30(28)40(27)24-10-5-6-11-24)36-26-15-14-22(20-29(26)43-25-12-7-8-13-25)31(41)35-23-16-18-38(2)19-17-23/h14-15,20-21,23-25,27H,4-13,16-19H2,1-3H3,(H,35,41)(H,34,36,37)/t27-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50112335
(CHEMBL3609304)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C26H35N7O3/c1-31-12-10-18(11-13-31)28-25(35)17-8-9-20(22(14-17)36-3)29-26-27-15-21-24(30-26)33(16-23(34)32(21)2)19-6-4-5-7-19/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,28,35)(H,27,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458970
(CHEMBL4206381)Show SMILES C[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458958
(CHEMBL4215910)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C30H43N7O3/c1-19(2)16-24-29(39)36(4)25-18-31-30(34-27(25)37(24)22-8-6-7-9-22)33-23-11-10-20(17-26(23)40-5)28(38)32-21-12-14-35(3)15-13-21/h10-11,17-19,21-22,24H,6-9,12-16H2,1-5H3,(H,32,38)(H,31,33,34)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458963
(CHEMBL4209902)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458956
(CHEMBL4202678)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17-24(33)30(2)21-16-27-26(29-23(21)32(17)19-9-5-6-10-19)28-20-12-11-18(15-22(20)35-3)25(34)31-13-7-4-8-14-31/h11-12,15-17,19H,4-10,13-14H2,1-3H3,(H,27,28,29)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458968
(CHEMBL4216442)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1=CCN(C)C=C1 |r,c:39,t:34| Show InChI InChI=1S/C27H33N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-13,15-17,20H,5-8,14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458956
(CHEMBL4202678)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17-24(33)30(2)21-16-27-26(29-23(21)32(17)19-9-5-6-10-19)28-20-12-11-18(15-22(20)35-3)25(34)31-13-7-4-8-14-31/h11-12,15-17,19H,4-10,13-14H2,1-3H3,(H,27,28,29)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458966
(CHEMBL4207437)Show SMILES C[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458965
(CHEMBL4210571)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C25H35N7O3/c1-16-24(34)31(4)20-15-27-25(29-22(20)32(16)18-8-6-7-9-18)28-19-11-10-17(14-21(19)35-5)23(33)26-12-13-30(2)3/h10-11,14-16,18H,6-9,12-13H2,1-5H3,(H,26,33)(H,27,28,29)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458960
(CHEMBL4216875)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458961
(CHEMBL4210414)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H36N6O3/c1-17-26(35)32(2)22-16-28-27(31-24(22)33(17)20-11-7-8-12-20)30-21-14-13-18(15-23(21)36-3)25(34)29-19-9-5-4-6-10-19/h13-17,19-20H,4-12H2,1-3H3,(H,29,34)(H,28,30,31)/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458962
(CHEMBL4213276)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCNCC1 |r| Show InChI InChI=1S/C26H35N7O3/c1-16-25(35)32(2)21-15-28-26(31-23(21)33(16)19-6-4-5-7-19)30-20-9-8-17(14-22(20)36-3)24(34)29-18-10-12-27-13-11-18/h8-9,14-16,18-19,27H,4-7,10-13H2,1-3H3,(H,29,34)(H,28,30,31)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458970
(CHEMBL4206381)Show SMILES C[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458961
(CHEMBL4210414)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H36N6O3/c1-17-26(35)32(2)22-16-28-27(31-24(22)33(17)20-11-7-8-12-20)30-21-14-13-18(15-23(21)36-3)25(34)29-19-9-5-4-6-10-19/h13-17,19-20H,4-12H2,1-3H3,(H,29,34)(H,28,30,31)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458952
(CHEMBL4203571)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C29H34N6O3/c1-19-28(37)34(2)24-18-31-29(33-26(24)35(19)22-11-7-8-12-22)32-23-14-13-21(17-25(23)38-3)27(36)30-16-15-20-9-5-4-6-10-20/h4-6,9-10,13-14,17-19,22H,7-8,11-12,15-16H2,1-3H3,(H,30,36)(H,31,32,33)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458969
(CHEMBL4207165)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C26H37N7O3/c1-7-20-25(35)32(5)21-15-27-26(30-23(21)33(20)16(2)3)29-19-9-8-17(14-22(19)36-6)24(34)28-18-10-12-31(4)13-11-18/h8-9,14-16,18,20H,7,10-13H2,1-6H3,(H,28,34)(H,27,29,30)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM25121
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458957
(CHEMBL4212237)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C28H41N7O3/c1-17(2)14-22-27(37)34(6)23-16-29-28(32-25(23)35(22)18(3)4)31-21-9-8-19(15-24(21)38-7)26(36)30-20-10-12-33(5)13-11-20/h8-9,15-18,20,22H,10-14H2,1-7H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458960
(CHEMBL4216875)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458970
(CHEMBL4206381)Show SMILES C[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)/t20-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458973
(CHEMBL4212346)Show SMILES COC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)c(OC2CCCC2)c1 |r| Show InChI InChI=1S/C26H33N5O4/c1-16-24(32)30(2)21-15-27-26(29-23(21)31(16)18-8-4-5-9-18)28-20-13-12-17(25(33)34-3)14-22(20)35-19-10-6-7-11-19/h12-16,18-19H,4-11H2,1-3H3,(H,27,28,29)/t16-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 253 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458968
(CHEMBL4216442)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1=CCN(C)C=C1 |r,c:39,t:34| Show InChI InChI=1S/C27H33N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-13,15-17,20H,5-8,14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 289 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458967
(CHEMBL4202820)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C28H39N7O3/c1-18-27(37)34(3)23-17-29-28(32-25(23)35(18)21-8-6-5-7-9-21)31-22-11-10-19(16-24(22)38-4)26(36)30-20-12-14-33(2)15-13-20/h10-11,16-18,20-21H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t18-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458954
(CHEMBL4207347)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C3CCOCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C30H43N7O4/c1-19(2)16-24-29(39)36(4)25-18-31-30(34-27(25)37(24)22-10-14-41-15-11-22)33-23-7-6-20(17-26(23)40-5)28(38)32-21-8-12-35(3)13-9-21/h6-7,17-19,21-22,24H,8-16H2,1-5H3,(H,32,38)(H,31,33,34)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458963
(CHEMBL4209902)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C27H37N7O3/c1-17-26(36)33(3)22-16-28-27(31-24(22)34(17)20-7-5-6-8-20)30-21-10-9-18(15-23(21)37-4)25(35)29-19-11-13-32(2)14-12-19/h9-10,15-17,19-20H,5-8,11-14H2,1-4H3,(H,29,35)(H,28,30,31)/t17-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458956
(CHEMBL4202678)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C26H34N6O3/c1-17-24(33)30(2)21-16-27-26(29-23(21)32(17)19-9-5-6-10-19)28-20-12-11-18(15-22(20)35-3)25(34)31-13-7-4-8-14-31/h11-12,15-17,19H,4-10,13-14H2,1-3H3,(H,27,28,29)/t17-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 369 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458961
(CHEMBL4210414)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C27H36N6O3/c1-17-26(35)32(2)22-16-28-27(31-24(22)33(17)20-11-7-8-12-20)30-21-14-13-18(15-23(21)36-3)25(34)29-19-9-5-4-6-10-19/h13-17,19-20H,4-12H2,1-3H3,(H,29,34)(H,28,30,31)/t17-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 378 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50458965
(CHEMBL4210571)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C25H35N7O3/c1-16-24(34)31(4)20-15-27-25(29-22(20)32(16)18-8-6-7-9-18)28-19-11-10-17(14-21(19)35-5)23(33)26-12-13-30(2)3/h10-11,14-16,18H,6-9,12-13H2,1-5H3,(H,26,33)(H,27,28,29)/t16-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 392 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50458964
(CHEMBL4206052)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C25H35N7O3/c1-15(2)32-16(3)24(34)31(5)20-14-26-25(29-22(20)32)28-19-8-7-17(13-21(19)35-6)23(33)27-18-9-11-30(4)12-10-18/h7-8,13-16,18H,9-12H2,1-6H3,(H,27,33)(H,26,28,29)/t16-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50458973
(CHEMBL4212346)Show SMILES COC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)c(OC2CCCC2)c1 |r| Show InChI InChI=1S/C26H33N5O4/c1-16-24(32)30(2)21-15-27-26(29-23(21)31(16)18-8-4-5-9-18)28-20-13-12-17(25(33)34-3)14-22(20)35-19-10-6-7-11-19/h12-16,18-19H,4-11H2,1-3H3,(H,27,28,29)/t16-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 457 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PLK1 by Z-Lyte assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50112336
(CHEMBL3609305)Show SMILES CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 489 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts-Boston
Curated by ChEMBL
| Assay Description Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay |
J Med Chem 61: 7785-7795 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00765 BindingDB Entry DOI: 10.7270/Q2MP55WQ |
More data for this Ligand-Target Pair | |