Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 6964   

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 kinase kinase 5 (Homo sapiens (Human))	BDBM162322 (US10307427, Compound 13 | US9051313, 13) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C25H26F3N9OS/c1-15(25(26,27)28)37-14-31-34-22(37)24-33-21(12-39-24)32-23(38)17-9-19(36-11-18(30-13-36)16-5-6-16)20(10-29-17)35-7-3-2-4-8-35/h9-16H,2-8H2,1H3,(H,32,38)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162310 (US10307427, Compound 1 | US9051313, 1) Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCOCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C24H25N9O2S/c34-23(28-21-12-36-24(29-21)22-30-27-14-33(22)16-3-4-16)17-9-19(32-11-18(26-13-32)15-1-2-15)20(10-25-17)31-5-7-35-8-6-31/h9-16H,1-8H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162311 (US10307427, Compound 2 | US9051313, 2) Show SMILES CC1(O)CN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C24H25N9O2S/c1-24(35)10-32(11-24)19-7-25-16(6-18(19)31-8-17(26-12-31)14-2-3-14)22(34)28-20-9-36-23(29-20)21-30-27-13-33(21)15-4-5-15/h6-9,12-15,35H,2-5,10-11H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.58	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162313 (US9051313, 4) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CC(C)(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-20(36)22-32-19(8-39-22)31-21(37)15-5-17(34-7-16(29-11-34)14-3-4-14)18(6-28-15)35-9-23(2,38)10-35/h5-8,11-14,38H,3-4,9-10H2,1-2H3,(H,31,37)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.69	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162316 (US9051313, 7) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N9OS/c1-13(23(24,25)26)35-12-29-32-20(35)22-31-19(10-37-22)30-21(36)15-7-17(18(8-27-15)33-5-2-6-33)34-9-16(28-11-34)14-3-4-14/h7-14H,2-6H2,1H3,(H,30,36)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162323 (US10307427, Compound 14 | US9051313, 14) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(C)(O)CC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C26H28F3N9O2S/c1-15(26(27,28)29)38-14-32-35-22(38)24-34-21(12-41-24)33-23(39)17-9-19(37-11-18(31-13-37)16-3-4-16)20(10-30-17)36-7-5-25(2,40)6-8-36/h9-16,40H,3-8H2,1-2H3,(H,33,39)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162314 (US9051313, 5) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N(C)C)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.88	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162318 (US10307427, Compound 9 | US9051313, 9) Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C24H25N9OS/c34-23(28-21-12-35-24(29-21)22-30-27-14-33(22)16-5-6-16)17-9-19(20(10-25-17)31-7-1-2-8-31)32-11-18(26-13-32)15-3-4-15/h9-16H,1-8H2,(H,28,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162321 (US10307427, Compound 12 | US9051313, 12) Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCCCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C25H27N9OS/c35-24(29-22-13-36-25(30-22)23-31-28-15-34(23)17-6-7-17)18-10-20(33-12-19(27-14-33)16-4-5-16)21(11-26-18)32-8-2-1-3-9-32/h10-17H,1-9H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162325 (US10307427, Compound 16 | US9051313, 16) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCN(C)CC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C25H27F3N10OS/c1-15(25(26,27)28)38-14-31-34-22(38)24-33-21(12-40-24)32-23(39)17-9-19(37-11-18(30-13-37)16-3-4-16)20(10-29-17)36-7-5-35(2)6-8-36/h9-16H,3-8H2,1-2H3,(H,32,39)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162317 (US9051313, 8) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N9OS/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-38-23)31-22(37)16-8-18(19(9-28-16)34-6-2-3-7-34)35-10-17(29-12-35)15-4-5-15/h8-15H,2-7H2,1H3,(H,31,37)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162320 (US10307427, Compound 11 | US9051313, 11) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-21(36)23-32-20(10-39-23)31-22(38)16-6-18(35-9-17(29-11-35)14-2-3-14)19(7-28-16)34-5-4-15(37)8-34/h6-7,9-15,37H,2-5,8H2,1H3,(H,31,38)/t13-,15?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162315 (US10307427, Compound 6 | US9051313, 6) Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C23H23N9OS/c33-22(27-20-11-34-23(28-20)21-29-26-13-32(21)15-4-5-15)16-8-18(19(9-24-16)30-6-1-7-30)31-10-17(25-12-31)14-2-3-14/h8-15H,1-7H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162324 (US10307427, Compound 15 | US9051313, 15) Show SMILES CC1(O)CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C26H29N9O2S/c1-26(37)6-8-33(9-7-26)21-11-27-18(10-20(21)34-12-19(28-14-34)16-2-3-16)24(36)30-22-13-38-25(31-22)23-32-29-15-35(23)17-4-5-17/h10-17,37H,2-9H2,1H3,(H,30,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162312 (US9051313, 3) Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCOCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N9O2S/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-39-23)31-22(37)16-8-18(35-10-17(29-12-35)15-2-3-15)19(9-28-16)34-4-6-38-7-5-34/h8-15H,2-7H2,1H3,(H,31,37)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.62	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162319 (US10307427, Compound 10 | US9051313, 10) Show SMILES OC1CCN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C24H25N9O2S/c34-16-5-6-31(9-16)20-8-25-17(7-19(20)32-10-18(26-12-32)14-1-2-14)23(35)28-21-11-36-24(29-21)22-30-27-13-33(22)15-3-4-15/h7-8,10-16,34H,1-6,9H2,(H,28,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM162326 (US10307427, Compound 17 | US9051313, 17) Show SMILES CN1CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C25H28N10OS/c1-32-6-8-33(9-7-32)21-11-26-18(10-20(21)34-12-19(27-14-34)16-2-3-16)24(36)29-22-13-37-25(30-22)23-31-28-15-35(23)17-4-5-17/h10-17H,2-9H2,1H3,(H,29,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM139540 (US10189849, staurosporine | US10307427, Staurospor...) Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Gildead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...				US Patent US9051313 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZVX
					More data for this Ligand-Target Pair