Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50040188   

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 activator 1 (Homo sapiens (Human))	BDBM50390639 (CHEMBL2069712) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(F)cc2s1 Show InChI InChI=1S/C11H7FN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390640 (CHEMBL2069713) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390638 (CHEMBL2069711) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	551	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390653 (CHEMBL2069727) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(F)c(Cl)c2s1 Show InChI InChI=1S/C11H6ClFN2O2S3/c12-9-6(13)1-2-7-10(9)19-11(15-7)5-3-8(18-4-5)20(14,16)17/h1-4H,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390641 (CHEMBL2069714) Show SMILES Cc1ccc2nc(sc2c1)-c1csc(c1)S(N)(=O)=O Show InChI InChI=1S/C12H10N2O2S3/c1-7-2-3-9-10(4-7)18-12(14-9)8-5-11(17-6-8)19(13,15)16/h2-6H,1H3,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390642 (CHEMBL2069715) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(cc2s1)[N+]([O-])=O Show InChI InChI=1S/C11H7N3O4S3/c12-21(17,18)10-3-6(5-19-10)11-13-8-2-1-7(14(15)16)4-9(8)20-11/h1-5H,(H2,12,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390645 (CHEMBL2069719) Show SMILES O=S(=O)(Nc1nccs1)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C14H9N3O2S4/c18-23(19,17-14-15-5-6-20-14)12-7-9(8-21-12)13-16-10-3-1-2-4-11(10)22-13/h1-8H,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390640 (CHEMBL2069713) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C11H7ClN2O2S3/c12-7-1-2-8-9(4-7)18-11(14-8)6-3-10(17-5-6)19(13,15)16/h1-5H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cdk5/p25-mediated myosin heavy chain phosphorylation in HEK293 cells				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390647 (CHEMBL2069721) Show SMILES CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)n1 Show InChI InChI=1S/C18H15N3O4S4/c1-2-25-15(22)8-12-10-27-18(19-12)21-29(23,24)16-7-11(9-26-16)17-20-13-5-3-4-6-14(13)28-17/h3-7,9-10H,2,8H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390648 (CHEMBL2069722) Show SMILES O=S(=O)(NCc1ccccn1)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C17H13N3O2S3/c21-25(22,19-10-13-5-3-4-8-18-13)16-9-12(11-23-16)17-20-14-6-1-2-7-15(14)24-17/h1-9,11,19H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390643 (CHEMBL2069716) Show SMILES CC(=O)c1ccc2nc(sc2c1)-c1csc(c1)S(N)(=O)=O Show InChI InChI=1S/C13H10N2O3S3/c1-7(16)8-2-3-10-11(4-8)20-13(15-10)9-5-12(19-6-9)21(14,17)18/h2-6H,1H3,(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390654 (CHEMBL2069728) Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2cccc(-c3ccc(F)cc3)c2s1 Show InChI InChI=1S/C17H11FN2O2S3/c18-12-6-4-10(5-7-12)13-2-1-3-14-16(13)24-17(20-14)11-8-15(23-9-11)25(19,21)22/h1-9H,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390655 (CHEMBL2069717) Show SMILES ONS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C11H8N2O3S3/c14-13-19(15,16)10-5-7(6-17-10)11-12-8-3-1-2-4-9(8)18-11/h1-6,13-14H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390651 (CHEMBL2069725) Show SMILES O=S(=O)(Nc1ccc(nc1)N1CCOCC1)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C20H18N4O3S3/c25-30(26,23-15-5-6-18(21-12-15)24-7-9-27-10-8-24)19-11-14(13-28-19)20-22-16-3-1-2-4-17(16)29-20/h1-6,11-13,23H,7-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390646 (CHEMBL2069720) Show SMILES Cc1nc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)sc1C Show InChI InChI=1S/C16H13N3O2S4/c1-9-10(2)23-16(17-9)19-25(20,21)14-7-11(8-22-14)15-18-12-5-3-4-6-13(12)24-15/h3-8H,1-2H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390649 (CHEMBL2069723) Show SMILES Cc1ccnc(NS(=O)(=O)c2cc(cs2)-c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H13N3O2S3/c1-11-6-7-18-15(8-11)20-25(21,22)16-9-12(10-23-16)17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390652 (CHEMBL2069726) Show SMILES OC[C@H]1CCCN1S(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C16H16N2O3S3/c19-9-12-4-3-7-18(12)24(20,21)15-8-11(10-22-15)16-17-13-5-1-2-6-14(13)23-16/h1-2,5-6,8,10,12,19H,3-4,7,9H2/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390650 (CHEMBL2069724) Show SMILES Oc1cccnc1NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C16H11N3O3S3/c20-12-5-3-7-17-15(12)19-25(21,22)14-8-10(9-23-14)16-18-11-4-1-2-6-13(11)24-16/h1-9,20H,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50390644 (CHEMBL2069718) Show SMILES FCCNS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1 Show InChI InChI=1S/C13H11FN2O2S3/c14-5-6-15-21(17,18)12-7-9(8-19-12)13-16-10-3-1-2-4-11(10)20-13/h1-4,7-8,15H,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5919-23 (2012) Article DOI: 10.1016/j.bmcl.2012.07.068 BindingDB Entry DOI: 10.7270/Q2G73FTN
					More data for this Ligand-Target Pair