Compile Data Set for Download or QSAR

Found 638 hits with Last Name = 'shimura' and Initial = 'k'   

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
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583383 (CHEMBL5028005 | US20230339856, Compound (IIb3)) Show SMILES CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583382 (CHEMBL5028265) Show SMILES CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583381 (CHEMBL5029066 | US20230339856, Compound (IIb1)) Show SMILES CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583380 (CHEMBL5027974) Show SMILES CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM18353 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...) Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583379 (CHEMBL5028138 | US20230339856, Compound (IIb)) Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM18351 ((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50335398 (CHEMBL1651551 | N-Heptyl-1-deoxynojirimycin) Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11+,12-,13-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM18356 ((2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-...) Show SMILES CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM18355 ((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...) Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50335399 (CHEMBL1651549 | N-Pentyl-1-deoxynojirimycin) Show SMILES CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C11H23NO4/c1-2-3-4-5-12-6-9(14)11(16)10(15)8(12)7-13/h8-11,13-16H,2-7H2,1H3/t8-,9+,10-,11-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583384 (CHEMBL5080975) Show SMILES CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM18354 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-propylpiperidine...) Show SMILES CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C9H19NO4/c1-2-3-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583385 (CHEMBL5028105) Show SMILES CCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583378 (CHEMBL5028084 | US20230339856, Compound (IIa)) Show SMILES CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50583377 (CHEMBL5028072) Show SMILES C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01673 BindingDB Entry DOI: 10.7270/Q23J3HVM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50036731 (3-Dimethylamino-1-phenyl-propan-1-one | CHEMBL5011...) Show SMILES CN(C)CCC(=O)c1ccccc1 Show InChI InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50047897 (CHEMBL289199 | Dimethyl-(3-phenyl-propyl)-amine) Show SMILES CN(C)CCCc1ccccc1 Show InChI InChI=1S/C11H17N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046768 (2-Pentylamino-acetamide | 2-Pentylamino-acetamide(...) Show SMILES CCCCCNCC(N)=O Show InChI InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	9.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046768 (2-Pentylamino-acetamide | 2-Pentylamino-acetamide(...) Show SMILES CCCCCNCC(N)=O Show InChI InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.08E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046767 (CHEMBL344189 | Pentylamino-acetic acid ethyl ester) Show SMILES CCCCCNCC(=O)OCC Show InChI InChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50047898 (CHEMBL47794 | Dimethyl-pentyl-amine) Show SMILES CCCCCN(C)C Show InChI InChI=1S/C7H17N/c1-4-5-6-7-8(2)3/h4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50047896 (CHEMBL46232 | Phenethyl-propyl-amine) Show SMILES CCCNCCc1ccccc1 Show InChI InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046769 (3-Pentylamino-propionitrile | CHEMBL139492) Show SMILES CCCCCNCCC#N Show InChI InChI=1S/C8H16N2/c1-2-3-4-7-10-8-5-6-9/h10H,2-5,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	4.94E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046766 (CHEMBL139751 | Pentylamino-acetonitrile) Show SMILES CCCCCNCC#N Show InChI InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.94E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046769 (3-Pentylamino-propionitrile | CHEMBL139492) Show SMILES CCCCCNCCC#N Show InChI InChI=1S/C8H16N2/c1-2-3-4-7-10-8-5-6-9/h10H,2-5,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	5.79E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50018453 (CHEMBL46278 | Dimethyl-phenethyl-amine | N,N-dimet...) Show SMILES CN(C)CCc1ccccc1 Show InChI InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50016907 (CHEMBL46841 | Dimethyl-(4-phenyl-butyl)-amine) Show SMILES CN(C)CCCCc1ccccc1 Show InChI InChI=1S/C12H19N/c1-13(2)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase-B from Bovine liver				J Med Chem 36: 1711-5 (1993) BindingDB Entry DOI: 10.7270/Q2DN443D
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046766 (CHEMBL139751 | Pentylamino-acetonitrile) Show SMILES CCCCCNCC#N Show InChI InChI=1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50046767 (CHEMBL344189 | Pentylamino-acetic acid ethyl ester) Show SMILES CCCCCNCC(=O)OCC Show InChI InChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	1.42E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)				J Med Chem 36: 446-8 (1993) BindingDB Entry DOI: 10.7270/Q24B30CC
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed...				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM50285779 (CHEMBL4165205) Show SMILES COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CC1Cc2ccccc2C1)Cn1ccc(CCC(O)=O)c1 |r| Show InChI InChI=1S/C29H35NO5/c1-19-26(34-2)15-24(16-27(19)35-3)29(33)25(14-21-12-22-6-4-5-7-23(22)13-21)18-30-11-10-20(17-30)8-9-28(31)32/h4-7,10-11,15-17,21,25,29,33H,8-9,12-14,18H2,1-3H3,(H,31,32)/t25-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
ONO Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed...				ACS Med Chem Lett 8: 1281-1286 (2017) Article DOI: 10.1021/acsmedchemlett.7b00383 BindingDB Entry DOI: 10.7270/Q2PG1V8Z
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249335 (US10300060, Example 15-96 | US10765676, Example 15...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9763943 (2017) BindingDB Entry DOI: 10.7270/Q2ZW1P0X
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249335 (US10300060, Example 15-96 | US10765676, Example 15...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US10765676 (2020) BindingDB Entry DOI: 10.7270/Q2VX0KKB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249335 (US10300060, Example 15-96 | US10765676, Example 15...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description On the day before the assay, CellSenser™ TrkA-NFAT-b1a CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) co...				Bioorg Med Chem Lett 19: 1654-7 (2009) BindingDB Entry DOI: 10.7270/Q2JH3PGF
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249335 (US10300060, Example 15-96 | US10765676, Example 15...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd.					Assay Description TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 c...				Bioorg Med Chem 17: 2017-29 (2009) BindingDB Entry DOI: 10.7270/Q2WD42WT
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249335 (US10300060, Example 15-96 | US10765676, Example 15...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(F)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18F4N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9463192 (2016) BindingDB Entry DOI: 10.7270/Q22Z14FR
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287290 (CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287294 (2-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylm...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C(O)=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249337 (US10300060, Example 15-104 | US10765676, Example 1...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9763943 (2017) BindingDB Entry DOI: 10.7270/Q2ZW1P0X
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249337 (US10300060, Example 15-104 | US10765676, Example 1...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd.					Assay Description TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 c...				Bioorg Med Chem 17: 2017-29 (2009) BindingDB Entry DOI: 10.7270/Q2WD42WT
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249337 (US10300060, Example 15-104 | US10765676, Example 1...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US10765676 (2020) BindingDB Entry DOI: 10.7270/Q2VX0KKB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249337 (US10300060, Example 15-104 | US10765676, Example 1...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	37
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9463192 (2016) BindingDB Entry DOI: 10.7270/Q22Z14FR
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249337 (US10300060, Example 15-104 | US10765676, Example 1...) Show SMILES CS(=O)(=O)c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F Show InChI InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description On the day before the assay, CellSenser™ TrkA-NFAT-b1a CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) co...				Bioorg Med Chem Lett 19: 1654-7 (2009) BindingDB Entry DOI: 10.7270/Q2JH3PGF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287291 (CHEMBL35381 | N-[5-Ethyl-3-[2'-(1H-tetrazol-5-yl)-...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)c2ccccc2C(O)=O)s1 |w:24.27| Show InChI InChI=1S/C26H21N7O3S/c1-2-22-30-33(26(37-22)27-24(34)20-9-5-6-10-21(20)25(35)36)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)23-28-31-32-29-23/h3-14H,2,15H2,1H3,(H,35,36)(H,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)				Bioorg Med Chem Lett 6: 1469-1474 (1996) Article DOI: 10.1016/S0960-894X(96)00250-8 BindingDB Entry DOI: 10.7270/Q2SN08XQ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249345 (US10300060, Example 21-65 | US10765676, Example 21...) Show SMILES Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1 Show InChI InChI=1S/C30H21F3N8O2/c1-18-10-12-41-27(38-18)25(17-37-41)19-4-7-23(8-5-19)43-29-35-15-22(16-36-29)39-28(42)40-26-13-21(30(31,32)33)6-9-24(26)20-3-2-11-34-14-20/h2-17H,1H3,(H2,39,40,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description On the day before the assay, CellSenser™ TrkA-NFAT-b1a CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) co...				Bioorg Med Chem Lett 19: 1654-7 (2009) BindingDB Entry DOI: 10.7270/Q2JH3PGF
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249345 (US10300060, Example 21-65 | US10765676, Example 21...) Show SMILES Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1 Show InChI InChI=1S/C30H21F3N8O2/c1-18-10-12-41-27(38-18)25(17-37-41)19-4-7-23(8-5-19)43-29-35-15-22(16-36-29)39-28(42)40-26-13-21(30(31,32)33)6-9-24(26)20-3-2-11-34-14-20/h2-17H,1H3,(H2,39,40,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd.					Assay Description TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 c...				Bioorg Med Chem 17: 2017-29 (2009) BindingDB Entry DOI: 10.7270/Q2WD42WT
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249345 (US10300060, Example 21-65 | US10765676, Example 21...) Show SMILES Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1 Show InChI InChI=1S/C30H21F3N8O2/c1-18-10-12-41-27(38-18)25(17-37-41)19-4-7-23(8-5-19)43-29-35-15-22(16-36-29)39-28(42)40-26-13-21(30(31,32)33)6-9-24(26)20-3-2-11-34-14-20/h2-17H,1H3,(H2,39,40,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9463192 (2016) BindingDB Entry DOI: 10.7270/Q22Z14FR
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249345 (US10300060, Example 21-65 | US10765676, Example 21...) Show SMILES Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1 Show InChI InChI=1S/C30H21F3N8O2/c1-18-10-12-41-27(38-18)25(17-37-41)19-4-7-23(8-5-19)43-29-35-15-22(16-36-29)39-28(42)40-26-13-21(30(31,32)33)6-9-24(26)20-3-2-11-34-14-20/h2-17H,1H3,(H2,39,40,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US10765676 (2020) BindingDB Entry DOI: 10.7270/Q2VX0KKB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249345 (US10300060, Example 21-65 | US10765676, Example 21...) Show SMILES Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1 Show InChI InChI=1S/C30H21F3N8O2/c1-18-10-12-41-27(38-18)25(17-37-41)19-4-7-23(8-5-19)43-29-35-15-22(16-36-29)39-28(42)40-26-13-21(30(31,32)33)6-9-24(26)20-3-2-11-34-14-20/h2-17H,1H3,(H2,39,40,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9763943 (2017) BindingDB Entry DOI: 10.7270/Q2ZW1P0X
					More data for this Ligand-Target Pair

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