Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Taste receptor type 1 member 1/3' and Ligand = 'BDBM50062279'   

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
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration of alanine is 20 mM.				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description HEK293 cells that stably express T1R3 and inducibly express T1R1 were exposed to nucleotide derivatives alone to activate the umami receptor. Activat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration of alanine is 20 mM.				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration of IMP is 0.2 mM.				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration of alanine is 20 mM.				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration of alanine is 20 mM.				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description HEK293 cells that stably express T1R3 and inducibly express T1R1 were exposed to nucleotide derivatives alone to activate the umami receptor. Activat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description The concentration of alanine is 20 mM.				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair
Taste receptor type 1 member 1/3 (Homo sapiens (Human))	BDBM50062279 (CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)	UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description HEK293 cells that stably express T1R3 and inducibly express T1R1 were exposed to nucleotide derivatives alone to activate the umami receptor. Activat...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KP859X
					More data for this Ligand-Target Pair