Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50001677   

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
Trace amine-associated receptor 5 (Mus musculus)	BDBM50292710 (CHEMBL4161604) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H17F3N6/c14-13(15,16)9-2-1-3-10(8-9)21-4-6-22(7-5-21)12(19)20-11(17)18/h1-3,8H,4-7H2,(H5,17,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50292711 (CHEMBL3628707) Show SMILES NC(=N)NC(=N)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM10758 (14C-phenylethylamine | 2-phenylethan-1-amine | CHE...) Show SMILES NCCc1ccccc1 Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM50293017 (CHEMBL4172905) Show SMILES Cl.Cl.COc1ccc(cc1)N1CCN(CC1)C(\N)=N\C(N)=N Show InChI InChI=1S/C13H20N6O/c1-20-11-4-2-10(3-5-11)18-6-8-19(9-7-18)13(16)17-12(14)15/h2-5H,6-9H2,1H3,(H5,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM50292711 (CHEMBL3628707) Show SMILES NC(=N)NC(=N)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM10758 (14C-phenylethylamine | 2-phenylethan-1-amine | CHE...) Show SMILES NCCc1ccccc1 Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50293265 (CHEMBL4162640) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C10H16N8/c11-8(12)16-9(13)17-4-6-18(7-5-17)10-14-2-1-3-15-10/h1-3H,4-7H2,(H5,11,12,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50293273 (CHEMBL4172220) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C12H17ClN6/c13-9-3-1-2-4-10(9)18-5-7-19(8-6-18)12(16)17-11(14)15/h1-4H,5-8H2,(H5,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293273 (CHEMBL4172220) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C12H17ClN6/c13-9-3-1-2-4-10(9)18-5-7-19(8-6-18)12(16)17-11(14)15/h1-4H,5-8H2,(H5,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Inhibition of very late antigen 4 from HL60 lysate in a protein-based ligand binding assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293376 (CHEMBL4163065) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C12H17ClN6/c13-9-2-1-3-10(8-9)18-4-6-19(7-5-18)12(16)17-11(14)15/h1-3,8H,4-7H2,(H5,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Inhibition of very late antigen 4 expressed in Jurkat cell line, in a cell-based adhesion assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293380 (CHEMBL4173769) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H17ClN6/c13-9-1-3-10(4-2-9)18-5-7-19(8-6-18)12(16)17-11(14)15/h1-4H,5-8H2,(H5,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293845 (CHEMBL4169509) Show SMILES Cl.Cl.COc1ccccc1N1CCN(CC1)C(\N)=N\C(N)=N Show InChI InChI=1S/C13H20N6O/c1-20-11-5-3-2-4-10(11)18-6-8-19(9-7-18)13(16)17-12(14)15/h2-5H,6-9H2,1H3,(H5,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293911 (CHEMBL4177366) Show SMILES Cl.Cl.COc1cccc(c1)N1CCN(CC1)C(\N)=N\C(N)=N Show InChI InChI=1S/C13H20N6O/c1-20-11-4-2-3-10(9-11)18-5-7-19(8-6-18)13(16)17-12(14)15/h2-4,9H,5-8H2,1H3,(H5,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293017 (CHEMBL4172905) Show SMILES Cl.Cl.COc1ccc(cc1)N1CCN(CC1)C(\N)=N\C(N)=N Show InChI InChI=1S/C13H20N6O/c1-20-11-4-2-10(3-5-11)18-6-8-19(9-7-18)13(16)17-12(14)15/h2-5H,6-9H2,1H3,(H5,14,15,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293965 (CHEMBL4162232) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C11H17N7/c12-10(13)16-11(14)18-7-5-17(6-8-18)9-3-1-2-4-15-9/h1-4H,5-8H2,(H5,12,13,14,16)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50293265 (CHEMBL4162640) Show SMILES Cl.Cl.NC(=N)\N=C(/N)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C10H16N8/c11-8(12)16-9(13)17-4-6-18(7-5-17)10-14-2-1-3-15-10/h1-3H,4-7H2,(H5,11,12,13,16)	UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair
Trace amine-associated receptor 5 (Mus musculus)	BDBM50292711 (CHEMBL3628707) Show SMILES NC(=N)NC(=N)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay				Eur J Med Chem 146: 171-184 (2018) Article DOI: 10.1016/j.ejmech.2018.01.059 BindingDB Entry DOI: 10.7270/Q2445Q0T
					More data for this Ligand-Target Pair