Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 7358   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446394 (CHEMBL3109646 | US9181261, 1) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4OS/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446392 (CHEMBL3109645 | US9181261, 2) Show SMILES CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N4O2/c1-12(2)26(11-13-10-24-17-16(13)4-3-9-23-17)18(27)25-14-5-7-15(8-6-14)28-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11.3	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM191135 (US9181261, 5) Show SMILES CC1(C)CCN(C(=O)N1Cc1c[nH]c2ncccc12)c1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C21H21F3N4OS/c1-20(2)9-11-27(15-5-7-16(8-6-15)30-21(22,23)24)19(29)28(20)13-14-12-26-18-17(14)4-3-10-25-18/h3-8,10,12H,9,11,13H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	19.7	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM191136 (US9181261, 6) Show SMILES CC(C)N(Cc1n[nH]c2ncccc12)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C18H18F3N5OS/c1-11(2)26(10-15-14-4-3-9-22-16(14)25-24-15)17(27)23-12-5-7-13(8-6-12)28-18(19,20)21/h3-9,11H,10H2,1-2H3,(H,23,27)(H,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	24.9	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM191140 (US9181261, 152) Show SMILES CC(C)N(Cc1cc(ccn1)-c1nccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H19F3N4O2S/c1-13(2)27(12-16-11-14(7-8-24-16)18-25-9-10-30-18)19(28)26-15-3-5-17(6-4-15)29-20(21,22)23/h3-11,13H,12H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.08E+3	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM191138 (US9181261, 15) Show SMILES CC(C)N(Cc1cccc(c1)-c1nccs1)C(=O)Nc1cnc(nc1)C(C)(C)C Show InChI InChI=1S/C22H27N5OS/c1-15(2)27(14-16-7-6-8-17(11-16)19-23-9-10-29-19)21(28)26-18-12-24-20(25-13-18)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50022677 (CHEMBL3298270 | US9181261, 17) Show SMILES CC(C)N(Cc1cccc(c1)-c1nccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C21H20F3N3O2S/c1-14(2)27(13-15-4-3-5-16(12-15)19-25-10-11-30-19)20(28)26-17-6-8-18(9-7-17)29-21(22,23)24/h3-12,14H,13H2,1-2H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	119	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM191139 (US9181261, 20) Show SMILES CC(C)N(Cc1n[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H18F3N5O2/c1-11(2)26(10-15-14-4-3-9-22-16(14)25-24-15)17(27)23-12-5-7-13(8-6-12)28-18(19,20)21/h3-9,11H,10H2,1-2H3,(H,23,27)(H,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	141	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446393 (CHEMBL3109644 | US9181261, 74) Show SMILES CC1(C)CN(C(=O)N1Cc1cccc(c1)-c1nccs1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H20F3N3O2S/c1-21(2)14-27(17-6-8-18(9-7-17)30-22(23,24)25)20(29)28(21)13-15-4-3-5-16(12-15)19-26-10-11-31-19/h3-12H,13-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM191137 (US9181261, 10) Show SMILES CC(C#C)N(Cc1cccc(c1)-c1nccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H18F3N3O2S/c1-3-15(2)28(14-16-5-4-6-17(13-16)20-26-11-12-31-20)21(29)27-18-7-9-19(10-8-18)30-22(23,24)25/h1,4-13,15H,14H2,2H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair