Compile Data Set for Download or QSAR

Found 6 hits of ki for UniProtKB: P49773   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360481 (CHEMBL1934757) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360480 (CHEMBL1934756) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23N7O5/c22-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-32-21(31)23-6-5-11-7-24-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,24,29-30H,5-6,8H2,(H,23,31)(H2,22,25,26)/t14-,16-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360478 (CHEMBL1934754) Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H25N5O5/c1-12-10-26(20(28)25-19(12)27)18-8-15(22)17(31-18)11-30-21(29)23-7-6-13-9-24-16-5-3-2-4-14(13)16/h2-5,9-10,15,17-18,24H,6-8,11,22H2,1H3,(H,23,29)(H,25,27,28)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360476 (CHEMBL1934752) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)CCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H22N6O5/c22-19-16-20(25-9-24-19)27(10-26-16)21-18(30)17(29)14(32-21)8-31-15(28)6-5-11-7-23-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,17-18,21,23,29-30H,5-6,8H2,(H2,22,24,25)/t14-,17-,18-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360477 (CHEMBL1934753) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)CCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H24N6O5/c23-20-17-21(26-10-25-20)28(11-27-17)22-19(31)18(30)15(33-22)9-32-16(29)7-3-4-12-8-24-14-6-2-1-5-13(12)14/h1-2,5-6,8,10-11,15,18-19,22,24,30-31H,3-4,7,9H2,(H2,23,25,26)/t15-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360479 (CHEMBL1934755) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H23N7O5/c1-12-10-28(20(30)25-19(12)29)18-8-16(26-27-22)17(33-18)11-32-21(31)23-7-6-13-9-24-15-5-3-2-4-14(13)15/h2-5,9-10,16-18,24H,6-8,11H2,1H3,(H,23,31)(H,25,29,30)/t16-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
					More data for this Ligand-Target Pair