Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 733   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288689 (TC001262 | US10092529, Compound 38) Show SMILES CC(C)(C=C)C(=O)N1[C@@H](CC1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H17NO2/c1-4-15(2,3)14(18)16-12(10-13(16)17)11-8-6-5-7-9-11/h4-9,12H,1,10H2,2-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.7	-44.9	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288691 (TC001207 | US10092529, Compound 24) Show SMILES CCC(C)(C)C(=O)N1[C@@H](CC1=O)c1ccccc1 |r| Show InChI InChI=1S/C15H19NO2/c1-4-15(2,3)14(18)16-12(10-13(16)17)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	19.8	-44.0	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288686 (TC001124 | US10092529, Compound 10) Show SMILES CCC(C)(C)C(=O)N1CCCC1c1cc(F)cc(F)c1F Show InChI InChI=1S/C16H20F3NO/c1-4-16(2,3)15(21)20-7-5-6-13(20)11-8-10(17)9-12(18)14(11)19/h8-9,13H,4-7H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.5	-43.7	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288687 (TC001129 | US10092529, Compound 2) Show SMILES CCC(C)(C)C(=O)N1CCC1c1ccccc1 Show InChI InChI=1S/C15H21NO/c1-4-15(2,3)14(17)16-11-10-13(16)12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.8	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288688 (TC001273 | US10092529, Compound 25) Show SMILES CCC(C)(C)C(=O)N1C(CC1=O)c1cccc(c1)N=[N+]=[N-] Show InChI InChI=1S/C15H18N4O2/c1-4-15(2,3)14(21)19-12(9-13(19)20)10-6-5-7-11(8-10)17-18-16/h5-8,12H,4,9H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	152	-38.9	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288690 (TC001287 | US10092529, Compound 15) Show SMILES CCC(C)(C)C(=O)N1C[C@H](O)C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C16H23NO2/c1-4-16(2,3)15(19)17-11-13(18)10-14(17)12-8-6-5-7-9-12/h5-9,13-14,18H,4,10-11H2,1-3H3/t13-,14+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	460	-36.2	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM288692 (TC001265 | US10092529, Compound 31) Show SMILES CCC(C)(C)C(=O)N1[C@@H](CN(C)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C16H22N2O2/c1-5-16(2,3)14(19)18-13(11-17(4)15(18)20)12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.07E+3	-34.1	n/a	n/a	n/a	n/a	n/a	n/a	25
National Institute of Biological Sciences, Beijing US Patent					Assay Description Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (C...				US Patent US10092529 (2018) BindingDB Entry DOI: 10.7270/Q26W9D35
					More data for this Ligand-Target Pair