Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50002796   

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
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463126 (CHEMBL4238599) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)[N+]([O-])=O)-c1ccco1 Show InChI InChI=1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463135 (CHEMBL4243878) Show SMILES N#Cc1ccc(cc1)-c1cc(cc(n1)-c1ccco1)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C23H14N6O/c24-14-15-3-5-17(6-4-15)20-12-19(13-21(25-20)22-2-1-11-30-22)16-7-9-18(10-8-16)23-26-28-29-27-23/h1-13H,(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463127 (CHEMBL4237402) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)-c1cnco1)-c1ccco1 Show InChI InChI=1S/C25H17N3O3/c26-25(29)19-9-3-16(4-10-19)20-12-21(28-22(13-20)23-2-1-11-30-23)17-5-7-18(8-6-17)24-14-27-15-31-24/h1-15H,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463138 (CHEMBL4240401) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)C#N)-c1ccco1 Show InChI InChI=1S/C23H15N3O2/c24-14-15-3-5-17(6-4-15)20-12-19(13-21(26-20)22-2-1-11-28-22)16-7-9-18(10-8-16)23(25)27/h1-13H,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463128 (CHEMBL4249055) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)-c1nccs1)-c1ccco1 Show InChI InChI=1S/C25H17N3O2S/c26-24(29)18-7-3-16(4-8-18)20-14-21(28-22(15-20)23-2-1-12-30-23)17-5-9-19(10-6-17)25-27-11-13-31-25/h1-15H,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463140 (CHEMBL4240109) Show SMILES N#Cc1ccc(cc1)-c1cc(cc(n1)-c1ccco1)-c1ccccc1 Show InChI InChI=1S/C22H14N2O/c23-15-16-8-10-18(11-9-16)20-13-19(17-5-2-1-3-6-17)14-21(24-20)22-7-4-12-25-22/h1-14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463131 (CHEMBL4248559) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(n1)-c1ccco1)-c1ccc(cc1)C#N Show InChI InChI=1S/C22H14N4O2/c23-13-14-3-5-15(6-4-14)18-12-19(16-7-9-17(10-8-16)21(24)27)26-22(25-18)20-2-1-11-28-20/h1-12H,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463134 (CHEMBL4246868) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)C#N)-c1ccco1 Show InChI InChI=1S/C24H17N3O4S/c1-32(29,30)27-24(28)19-10-8-17(9-11-19)20-13-21(18-6-4-16(15-25)5-7-18)26-22(14-20)23-3-2-12-31-23/h2-14H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463139 (CHEMBL4243533) Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(c1)C#N Show InChI InChI=1S/C13H9N3O/c14-8-12-7-11(5-6-16-12)9-1-3-10(4-2-9)13(15)17/h1-7H,(H2,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463130 (CHEMBL4247460) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)C#N)-c1cncs1 Show InChI InChI=1S/C22H14N4OS/c23-11-14-1-3-16(4-2-14)19-9-18(10-20(26-19)21-12-25-13-28-21)15-5-7-17(8-6-15)22(24)27/h1-10,12-13H,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463141 (CHEMBL4244986) Show SMILES Cn1nncc1-c1cc(cc(n1)-c1ccc(cc1)C#N)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C22H16N6O/c1-28-21(13-25-27-28)20-11-18(15-6-8-17(9-7-15)22(24)29)10-19(26-20)16-4-2-14(12-23)3-5-16/h2-11,13H,1H3,(H2,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463129 (CHEMBL4245253) Show SMILES Cn1ccnc1-c1cc(cc(n1)-c1ccc(cc1)C#N)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H17N5O/c1-28-11-10-26-23(28)21-13-19(16-6-8-18(9-7-16)22(25)29)12-20(27-21)17-4-2-15(14-24)3-5-17/h2-13H,1H3,(H2,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463137 (CHEMBL4241092) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)C#N)-c1cnco1 Show InChI InChI=1S/C22H14N4O2/c23-11-14-1-3-16(4-2-14)19-9-18(10-20(26-19)21-12-25-13-28-21)15-5-7-17(8-6-15)22(24)27/h1-10,12-13H,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463136 (CHEMBL4248116) Show SMILES c1coc(c1)-c1cc(cc(n1)-c1ccc(cc1)-c1nccs1)-c1nccs1 Show InChI InChI=1S/C21H13N3OS2/c1-2-19(25-9-1)18-13-16(21-23-8-11-27-21)12-17(24-18)14-3-5-15(6-4-14)20-22-7-10-26-20/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463133 (CHEMBL4240576) Show SMILES NNC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)C#N)-c1ccco1 Show InChI InChI=1S/C23H16N4O2/c24-14-15-3-5-17(6-4-15)20-12-19(13-21(26-20)22-2-1-11-29-22)16-7-9-18(10-8-16)23(28)27-25/h1-13H,25H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463132 (CHEMBL4250683) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1cccc(F)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H16FN3O/c26-22-3-1-2-20(12-22)24-14-21(17-8-10-19(11-9-17)25(28)30)13-23(29-24)18-6-4-16(15-27)5-7-18/h1-14H,(H2,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463124 (CHEMBL4248050) Show SMILES COc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C24H19N3O2/c1-29-20-13-11-17(12-14-20)22-15-21(16-7-9-18(10-8-16)23(25)28)26-24(27-22)19-5-3-2-4-6-19/h2-15H,1H3,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463125 (CHEMBL4242611) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(n1)-c1cc[n+]([O-])cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C23H15N5O2/c24-14-15-1-3-16(4-2-15)20-13-21(17-5-7-18(8-6-17)22(25)29)27-23(26-20)19-9-11-28(30)12-10-19/h1-13H,(H2,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463126 (CHEMBL4238599) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)[N+]([O-])=O)-c1ccco1 Show InChI InChI=1S/C22H15N3O4/c23-22(26)16-5-3-14(4-6-16)17-12-19(15-7-9-18(10-8-15)25(27)28)24-20(13-17)21-2-1-11-29-21/h1-13H,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to His-tagged Myc (unknown origin) expressed in Escherichia coli BL21 by Bio-FET analysis				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM50463128 (CHEMBL4249055) Show SMILES NC(=O)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(cc1)-c1nccs1)-c1ccco1 Show InChI InChI=1S/C25H17N3O2S/c26-24(29)18-7-3-16(4-8-18)20-14-21(28-22(15-20)23-2-1-12-30-23)17-5-9-19(10-6-17)25-27-11-13-31-25/h1-15H,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to His-tagged Myc (unknown origin) expressed in Escherichia coli BL21 by Bio-FET analysis				Bioorg Med Chem 26: 4234-4239 (2018) Article DOI: 10.1016/j.bmc.2018.07.019 BindingDB Entry DOI: 10.7270/Q2FJ2KDB
					More data for this Ligand-Target Pair