Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'alevy' and Initial = 'y'   

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
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192498 (US9187470, 89) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCN2CCOCC2)s1)C(C)(C)C Show InChI InChI=1S/C24H32N6O2S/c1-17-5-7-18(8-6-17)30-21(15-20(28-30)24(2,3)4)26-22(31)27-23-25-16-19(33-23)9-10-29-11-13-32-14-12-29/h5-8,15-16H,9-14H2,1-4H3,(H2,25,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.5	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	82.7	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192497 (US9187470, 62) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C26H27N5O2/c1-18-5-9-20(10-6-18)31-24(17-23(30-31)26(2,3)4)29-25(32)28-19-7-11-21(12-8-19)33-22-13-15-27-16-14-22/h5-17H,1-4H3,(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50249406 (1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...) Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50303597 ((S)-2-(2-amino-3-phenylpropylamino)-3-methyl-5-(na...) Show SMILES Cn1c(NC[C@@H](N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O |r| Show InChI InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7.74E+3	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192500 (US9187470, 115) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc2CN(Cc2c1)C(=O)C1CCOCC1)C(C)(C)C Show InChI InChI=1S/C29H35N5O3/c1-19-5-9-24(10-6-19)34-26(16-25(32-34)29(2,3)4)31-28(36)30-23-8-7-21-17-33(18-22(21)15-23)27(35)20-11-13-37-14-12-20/h5-10,15-16,20H,11-14,17-18H2,1-4H3,(H2,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192499 (US9187470, 117) Show SMILES Cc1cn(cn1)-c1cccc(c1)C(=O)Nc1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192502 (US9187470, 124) Show SMILES O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192499 (US9187470, 117) Show SMILES Cc1cn(cn1)-c1cccc(c1)C(=O)Nc1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192502 (US9187470, 124) Show SMILES O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C21H20N4O3/c26-21(16-5-10-23-20(15-16)25-11-13-27-14-12-25)24-17-1-3-18(4-2-17)28-19-6-8-22-9-7-19/h1-10,15H,11-14H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	9.87E+4	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM192501 (US10865384, Compound SB203580 | US9187470, 104 (SB...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.76E+7	n/a	n/a	n/a	n/a	n/a	25
Washington University US Patent					Assay Description The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...				US Patent US9187470 (2015) BindingDB Entry DOI: 10.7270/Q2N878M9
					More data for this Ligand-Target Pair