Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 2974   

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))	BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					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	8	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM26514 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (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 NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13.6	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	16.8	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM26515 (1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...) Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM26516 (1-[4-(cyclopentylamino)-2-{[4-(4-methylpiperazin-1...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H30N6O/c1-16(29)20-15-23-22(26-21(20)24-17-5-3-4-6-17)25-18-7-9-19(10-8-18)28-13-11-27(2)12-14-28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	345	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM26516 (1-[4-(cyclopentylamino)-2-{[4-(4-methylpiperazin-1...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H30N6O/c1-16(29)20-15-23-22(26-21(20)24-17-5-3-4-6-17)25-18-7-9-19(10-8-18)28-13-11-27(2)12-14-28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H2,23,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM26515 (1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...) Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM26516 (1-[4-(cyclopentylamino)-2-{[4-(4-methylpiperazin-1...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C22H30N6O/c1-16(29)20-15-23-22(26-21(20)24-17-5-3-4-6-17)25-18-7-9-19(10-8-18)28-13-11-27(2)12-14-28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H2,23,24,25,26)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.49E+3	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM26515 (1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...) Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...				Chem Biol Drug Des 70: 540-6 (2007) Article DOI: 10.1111/j.1747-0285.2007.00594.x BindingDB Entry DOI: 10.7270/Q2T151Z8
					More data for this Ligand-Target Pair