Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C-interacting protein 1'   

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
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50535044 (CHEMBL4471567) Show SMILES CCN(CC)CC.O[C@@H]1[C@@H](COS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)O[C@H]([C@@H]1O)n1cnc2c1ncn1ccnc21 |r| Show InChI InChI=1S/C23H23N7O7S.C6H15N/c31-17(6-5-13-9-25-15-4-2-1-3-14(13)15)28-38(34,35)36-10-16-19(32)20(33)23(37-16)30-12-26-18-21-24-7-8-29(21)11-27-22(18)30;1-4-7(5-2)6-3/h1-4,7-9,11-12,16,19-20,23,25,32-33H,5-6,10H2,(H,28,31);4-6H2,1-3H3/t16-,19-,20-,23-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assay				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM426060 (US10513520, Compound 7) Show SMILES OC1[C@@H](COS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)O[C@H]([C@H]1O)n1cnc2c1ncn1ccnc21 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a
Regents of the University of Minnesota US Patent					Assay Description ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ...				US Patent US10513520 (2019) BindingDB Entry DOI: 10.7270/Q2VD71VS
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50119454 (CHEMBL3140272) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NS(=O)(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C20H29N9O7S2/c21-17-14-18(23-7-22-17)29(8-24-14)19-16(32)15(31)10(36-19)5-25-38(34,35)28-12(30)4-2-1-3-11-13-9(6-37-11)26-20(33)27-13/h7-11,13,15-16,19,25,31-32H,1-6H2,(H,28,30)(H2,21,22,23)(H2,26,27,33)/t9-,10+,11-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assay				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50535045 (CHEMBL4455776) Show SMILES CCN(CC)CC.Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H23N7O8S.C6H15N/c22-21-25-18-15(19(32)26-21)24-9-28(18)20-17(31)16(30)13(36-20)8-35-37(33,34)27-14(29)6-5-10-7-23-12-4-2-1-3-11(10)12;1-4-7(5-2)6-3/h1-4,7,9,13,16-17,20,23,30-31H,5-6,8H2,(H,27,29)(H3,22,25,26,32);4-6H2,1-3H3/t13-,16-,17-,20-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assay				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM426057 (US10513520, Compound 4) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)[C@H](O)[C@@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
Regents of the University of Minnesota US Patent					Assay Description ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ...				US Patent US10513520 (2019) BindingDB Entry DOI: 10.7270/Q2VD71VS
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50535046 (CHEMBL4549820) Show SMILES CCN(CC)CC.Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H24N8O7S.C6H15N/c22-21-26-18-15(19(33)27-21)24-9-29(18)20-17(32)16(31)13(36-20)8-25-37(34,35)28-14(30)6-5-10-7-23-12-4-2-1-3-11(10)12;1-4-7(5-2)6-3/h1-4,7,9,13,16-17,20,23,25,31-32H,5-6,8H2,(H,28,30)(H3,22,26,27,33);4-6H2,1-3H3/t13-,16-,17-,20-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assay				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM426059 (US10513520, Compound 6) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCc2c[nH]c3ccccc23)C(O)[C@@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a
Regents of the University of Minnesota US Patent					Assay Description ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ...				US Patent US10513520 (2019) BindingDB Entry DOI: 10.7270/Q2VD71VS
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50535047 (CHEMBL4468179) Show SMILES CCN(CC)CC.CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C14H20N6O8S.C6H15N/c1-2-3-7(21)19-29(25,26)27-4-6-9(22)10(23)13(28-6)20-5-16-8-11(20)17-14(15)18-12(8)24;1-4-7(5-2)6-3/h5-6,9-10,13,22-23H,2-4H2,1H3,(H,19,21)(H3,15,17,18,24);4-6H2,1-3H3/t6-,9-,10-,13-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assay				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM426058 (US10513520, Compound 5) Show SMILES CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Regents of the University of Minnesota US Patent					Assay Description ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ...				US Patent US10513520 (2019) BindingDB Entry DOI: 10.7270/Q2VD71VS
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	3.65E+3	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity to recombinant human HINT1 by isothermal titration calorimetric assay				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM426056 (US10513520, Compound 3) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)NCCc2c[nH]c3ccccc23)C(O)[C@@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3.65E+3	n/a	n/a	n/a	n/a	n/a
Regents of the University of Minnesota US Patent					Assay Description ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ...				US Patent US10513520 (2019) BindingDB Entry DOI: 10.7270/Q2VD71VS
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Rattus norvegicus)	BDBM50326433 (((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to mouse HINT1 by NMR analysis				Bioorg Med Chem 18: 6756-62 (2010) Article DOI: 10.1016/j.bmc.2010.07.051 BindingDB Entry DOI: 10.7270/Q2ZP472H
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM426061 (US10513520, Compound GMP | guanosine monophosphate) Show SMILES Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2[nH]1 Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a
Regents of the University of Minnesota US Patent					Assay Description ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ...				US Patent US10513520 (2019) BindingDB Entry DOI: 10.7270/Q2VD71VS
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Rattus norvegicus)	BDBM50326433 (((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to mouse HINT1 by fluorescence quenching assay				Bioorg Med Chem 18: 6756-62 (2010) Article DOI: 10.1016/j.bmc.2010.07.051 BindingDB Entry DOI: 10.7270/Q2ZP472H
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Rattus norvegicus)	BDBM22579 (AICAR | Aminoimidazole-4-carboxamide ribonucleotid...) Show SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N Show InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to mouse HINT1 by fluorescence quenching assay				Bioorg Med Chem 18: 6756-62 (2010) Article DOI: 10.1016/j.bmc.2010.07.051 BindingDB Entry DOI: 10.7270/Q2ZP472H
					More data for this Ligand-Target Pair
Adenosine 5'-monophosphoramidase HINT1 (Rattus norvegicus)	BDBM22579 (AICAR | Aminoimidazole-4-carboxamide ribonucleotid...) Show SMILES NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N Show InChI InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Binding affinity to mouse HINT1 by HSQC spectra assay				Bioorg Med Chem 18: 6756-62 (2010) Article DOI: 10.1016/j.bmc.2010.07.051 BindingDB Entry DOI: 10.7270/Q2ZP472H
					More data for this Ligand-Target Pair
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
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50119454 (CHEMBL3140272) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NS(=O)(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C20H29N9O7S2/c21-17-14-18(23-7-22-17)29(8-24-14)19-16(32)15(31)10(36-19)5-25-38(34,35)28-12(30)4-2-1-3-11-13-9(6-37-11)26-20(33)27-13/h7-11,13,15-16,19,25,31-32H,1-6H2,(H,28,30)(H2,21,22,23)(H2,26,27,33)/t9-,10+,11-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells using TrpAMP as substrate measured for 2 to 30 mins by fluorescenc...				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells using TrpAMP as substrate measured for 2 to 30 mins by fluorescenc...				ACS Med Chem Lett 7: 780-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00169 BindingDB Entry DOI: 10.7270/Q2CV4N75
					More data for this Ligand-Target Pair