Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 7661   

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
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM36486 (9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209400 (US9266890, I-9) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(C)(O)CC1 Show InChI InChI=1S/C26H36N6O3/c1-26(34)11-14-31(15-12-26)19-8-9-20(22(16-19)35-3)28-25-27-17-21-24(29-25)32(18-6-4-5-7-18)13-10-23(33)30(21)2/h8-9,16-18,34H,4-7,10-15H2,1-3H3,(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209397 (US9266890, I-6) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C25H34N6O3/c1-29-21-16-26-25(28-24(21)31(14-11-23(29)33)17-5-3-4-6-17)27-20-8-7-18(15-22(20)34-2)30-12-9-19(32)10-13-30/h7-8,15-17,19,32H,3-6,9-14H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209401 (US9266890, I-11) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H38N6O3/c1-18(2)36-24-16-20(32-13-10-21(34)11-14-32)8-9-22(24)29-27-28-17-23-26(30-27)33(19-6-4-5-7-19)15-12-25(35)31(23)3/h8-9,16-19,21,34H,4-7,10-15H2,1-3H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	605	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209393 (US9266890, I-1) Show SMILES CN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1 Show InChI InChI=1S/C23H31N7O2/c1-28-19-15-25-23(27-22(19)30(13-10-21(28)32)16-4-2-3-5-16)26-20-7-6-17(14-24-20)29-11-8-18(31)9-12-29/h6-7,14-16,18,31H,2-5,8-13H2,1H3,(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209403 (US9266890, I-13) Show SMILES CCOc1cc(ccc1Nc1ncc2N(CC)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H38N6O3/c1-3-32-23-18-28-27(30-26(23)33(16-13-25(32)35)19-7-5-6-8-19)29-22-10-9-20(17-24(22)36-4-2)31-14-11-21(34)12-15-31/h9-10,17-19,21,34H,3-8,11-16H2,1-2H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209404 (US9266890, I-14) Show SMILES CCN1c2cnc(Nc3ccc(cc3OC(C)C)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1 Show InChI InChI=1S/C28H40N6O3/c1-4-33-24-18-29-28(31-27(24)34(16-13-26(33)36)20-7-5-6-8-20)30-23-10-9-21(17-25(23)37-19(2)3)32-14-11-22(35)12-15-32/h9-10,17-20,22,35H,4-8,11-16H2,1-3H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM209405 (US9266890, I-15) Show SMILES CCN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1 Show InChI InChI=1S/C24H33N7O2/c1-2-30-20-16-26-24(28-23(20)31(14-11-22(30)33)17-5-3-4-6-17)27-21-8-7-18(15-25-21)29-12-9-19(32)10-13-29/h7-8,15-17,19,32H,2-6,9-14H2,1H3,(H,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	25
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209414 (US9266890, I-24) Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM209410 (US9266890, I-20) Show SMILES CN1c2cnc(Nc3ccc4ncccc4c3)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C25H28N6O/c1-30-22-15-27-25(28-17-11-12-20-16(14-17)6-5-13-26-20)29-23(22)31(18-7-2-3-8-18)21-10-4-9-19(21)24(30)32/h5-6,11-15,18-19,21H,2-4,7-10H2,1H3,(H,27,28,29)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM209414 (US9266890, I-24) Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r| Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50337126 (2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...) Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50337127 (2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50337128 (2-((4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl)am...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C25H28N6O3/c1-29-20-7-5-4-6-18(20)24(33)30(2)21-15-26-25(28-23(21)29)27-19-9-8-16(14-22(19)34-3)31-12-10-17(32)11-13-31/h4-9,14-15,17,32H,10-13H2,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50337134 (2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209402 (US9266890, I-12) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C26H37N7O3/c1-30-22-18-27-26(29-25(22)33(10-9-24(30)35)19-5-3-4-6-19)28-21-8-7-20(17-23(21)36-2)32-13-11-31(12-14-32)15-16-34/h7-8,17-19,34H,3-6,9-16H2,1-2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209401 (US9266890, I-11) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C27H38N6O3/c1-18(2)36-24-16-20(32-13-10-21(34)11-14-32)8-9-22(24)29-27-28-17-23-26(30-27)33(19-6-4-5-7-19)15-12-25(35)31(23)3/h8-9,16-19,21,34H,4-7,10-15H2,1-3H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM36486 (9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209399 (US9266890, I-8) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N(C)CCCO Show InChI InChI=1S/C24H34N6O3/c1-28(12-6-14-31)18-9-10-19(21(15-18)33-3)26-24-25-16-20-23(27-24)30(17-7-4-5-8-17)13-11-22(32)29(20)2/h9-10,15-17,31H,4-8,11-14H2,1-3H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM209448 (US9266890, IV-8) Show SMILES CCN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C24H27N7O2/c1-3-31-20-15-26-24(28-22(20)29(2)19-7-5-4-6-18(19)23(31)33)27-21-9-8-16(14-25-21)30-12-10-17(32)11-13-30/h4-9,14-15,17,32H,3,10-13H2,1-2H3,(H,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209397 (US9266890, I-6) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C25H34N6O3/c1-29-21-16-26-25(28-24(21)31(14-11-23(29)33)17-5-3-4-6-17)27-20-8-7-18(15-22(20)34-2)30-12-9-19(32)10-13-30/h7-8,15-17,19,32H,3-6,9-14H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50435736 (CHEMBL2392552 | US9266890, I-3) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H37N7O3/c1-32-13-10-19(11-14-32)29-26(36)18-8-9-21(23(16-18)37-3)30-27-28-17-22-25(31-27)34(20-6-4-5-7-20)15-12-24(35)33(22)2/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,29,36)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209393 (US9266890, I-1) Show SMILES CN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1 Show InChI InChI=1S/C23H31N7O2/c1-28-19-15-25-23(27-22(19)30(13-10-21(28)32)16-4-2-3-5-16)26-20-7-6-17(14-24-20)29-11-8-18(31)9-12-29/h6-7,14-16,18,31H,2-5,8-13H2,1H3,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM209398 (US9266890, I-7) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N(C)CCO Show InChI InChI=1S/C23H32N6O3/c1-27(12-13-30)17-8-9-18(20(14-17)32-3)25-23-24-15-19-22(26-23)29(16-6-4-5-7-16)11-10-21(31)28(19)2/h8-9,14-16,30H,4-7,10-13H2,1-3H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute, Inc. US Patent					Assay Description In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.				US Patent US9266890 (2016) BindingDB Entry DOI: 10.7270/Q27M06RB
					More data for this Ligand-Target Pair