Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'mapelli' and Initial = 'm'   

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 5 (Homo sapiens (Human))	BDBM50155426 (1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...) Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50155426 (1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...) Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59194 (4-aminothiazole, 2.0) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	660	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59194 (4-aminothiazole, 2.0) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O Show InChI InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50132003 ((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...) Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)| Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 5/p25				J Med Chem 48: 671-9 (2005) Article DOI: 10.1021/jm049323m BindingDB Entry DOI: 10.7270/Q2MP52S4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 5/p25; range 0.16-0.2				J Med Chem 48: 671-9 (2005) Article DOI: 10.1021/jm049323m BindingDB Entry DOI: 10.7270/Q2MP52S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM7533 ((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 5/p25; range 0.1-0.2				J Med Chem 48: 671-9 (2005) Article DOI: 10.1021/jm049323m BindingDB Entry DOI: 10.7270/Q2MP52S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50155420 (1,5,8-Trihydroxy-3-methoxy-xanthen-9-one | BELLIDI...) Show SMILES COc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O Show InChI InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59195 (4-aminothiazole, 2.1) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59201 (2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.2) Show SMILES Clc1cc2CN(Oc2c2ncccc12)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C28H26ClN3O/c29-26-17-23-19-32(33-28(23)27-25(26)7-4-14-30-27)24-12-15-31(16-13-24)18-20-8-10-22(11-9-20)21-5-2-1-3-6-21/h1-11,14,17,24H,12-13,15-16,18-19H2	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59200 (2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.1) Show SMILES CC(=O)Nc1ccc(CN2CCC(CC2)N2Cc3cc(Cl)c4cccnc4c3O2)cc1 Show InChI InChI=1S/C24H25ClN4O2/c1-16(30)27-19-6-4-17(5-7-19)14-28-11-8-20(9-12-28)29-15-18-13-22(25)21-3-2-10-26-23(21)24(18)31-29/h2-7,10,13,20H,8-9,11-12,14-15H2,1H3,(H,27,30)	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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59199 (2,3-dihydro-1H-4-oxa-2,5-diazaphenanthrenes, 3.0) Show SMILES Clc1cc2CN(COc2c2ncccc12)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H24ClN3O/c24-21-13-18-15-27(16-28-23(18)22-20(21)7-4-10-25-22)19-8-11-26(12-9-19)14-17-5-2-1-3-6-17/h1-7,10,13,19H,8-9,11-12,14-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50155436 (1,3,5-Trihydroxy-xanthen-9-one | CHEMBL365234 | US...) Show SMILES Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O Show InChI InChI=1S/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59196 (4-aminothiazole, 2.2) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H11ClF3N3OS/c18-11-4-6-12(7-5-11)23-16-24-15(22)14(26-16)13(25)9-2-1-3-10(8-9)17(19,20)21/h1-8H,22H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59197 (4-aminothiazole, 2.3) Show SMILES Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H11Cl2N3OS/c17-10-3-1-9(2-4-10)13(22)14-15(19)21-16(23-14)20-12-7-5-11(18)6-8-12/h1-8H,19H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59198 (4-aminothiazole, 2.4) Show SMILES Clc1ccc(Nc2ncc(s2)C(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C16H9Cl3N2OS/c17-9-1-4-11(5-2-9)21-16-20-8-14(23-16)15(22)12-6-3-10(18)7-13(12)19/h1-8H,(H,20,21)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59192 (Xanthen-9-one, 1.3) Show SMILES COC(=O)c1c(O)ccc2c1oc1cccc(O)c1c2=O Show InChI InChI=1S/C15H10O6/c1-20-15(19)12-9(17)6-5-7-13(18)11-8(16)3-2-4-10(11)21-14(7)12/h2-6,16-17H,1H3	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	2.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59191 (Xanthen-9-one, 1.2) Show SMILES Oc1cc(O)c2c(c1)oc1cccc(O)c1c2=O Show InChI InChI=1S/C13H8O5/c14-6-4-8(16)12-10(5-6)18-9-3-1-2-7(15)11(9)13(12)17/h1-5,14-16H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM59193 (Xanthen-9-one, 1.5) Show SMILES COc1cc(OC)c2c(c1)oc1c(O)ccc(O)c1c2=O Show InChI InChI=1S/C15H12O6/c1-19-7-5-10(20-2)13-11(6-7)21-15-9(17)4-3-8(16)12(15)14(13)18/h3-6,16-17H,1-2H3	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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair