Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50046159   

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 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	138	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...				J Med Chem 58: 5096-107 (2015) Article DOI: 10.1021/acs.jmedchem.5b00526 BindingDB Entry DOI: 10.7270/Q2PC3446
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50359505 (CHEMBL1182312) Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1 Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...				J Med Chem 58: 5096-107 (2015) Article DOI: 10.1021/acs.jmedchem.5b00526 BindingDB Entry DOI: 10.7270/Q2PC3446
					More data for this Ligand-Target Pair				3D Structure (crystal)
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50096966 (CHEMBL3580906) Show SMILES NCCOc1ccc(Cc2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H17NO2/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8,17H,9-11,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...				J Med Chem 58: 5096-107 (2015) Article DOI: 10.1021/acs.jmedchem.5b00526 BindingDB Entry DOI: 10.7270/Q2PC3446
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50096964 (CHEMBL3580901) Show SMILES NCCOc1ccc(Cc2ccc(N)cc2)cc1 Show InChI InChI=1S/C15H18N2O/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8H,9-11,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...				J Med Chem 58: 5096-107 (2015) Article DOI: 10.1021/acs.jmedchem.5b00526 BindingDB Entry DOI: 10.7270/Q2PC3446
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50096965 (CHEMBL3580905) Show SMILES NCCc1ccc(Cc2ccc(N)cc2)cc1 Show InChI InChI=1S/C15H18N2/c16-10-9-12-1-3-13(4-2-12)11-14-5-7-15(17)8-6-14/h1-8H,9-11,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...				J Med Chem 58: 5096-107 (2015) Article DOI: 10.1021/acs.jmedchem.5b00526 BindingDB Entry DOI: 10.7270/Q2PC3446
					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50096963 (CHEMBL3580902) Show SMILES Cc1cc(OCCN)ccc1Cc1ccc(N)cc1 Show InChI InChI=1S/C16H20N2O/c1-12-10-16(19-9-8-17)7-4-14(12)11-13-2-5-15(18)6-3-13/h2-7,10H,8-9,11,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...				J Med Chem 58: 5096-107 (2015) Article DOI: 10.1021/acs.jmedchem.5b00526 BindingDB Entry DOI: 10.7270/Q2PC3446
					More data for this Ligand-Target Pair