Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Adenosine 5'-monophosphoramidase HINT1' AND taxid = 10116   

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 (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)	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 (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 (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