Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'hashimoto' and Initial = 'm'   

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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.02...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50308521 (9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50415479 (CHEMBL601619) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214708 (6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50308521 (9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50415479 (CHEMBL601619) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50415479 (CHEMBL601619) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of bovine PNP using 7-methylguanosine as substrate by spectrophotometric based coupled assay				Bioorg Med Chem 20: 6758-69 (2012) Article DOI: 10.1016/j.bmc.2012.08.045 BindingDB Entry DOI: 10.7270/Q23N24H7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrofluorimetric method in presence of 1...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50308522 (9-[7',7'-Difluoro-7'-(diethylphosphono)heptyl]-9-d...) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C17H27F2N4O4P/c1-3-26-28(25,27-4-2)17(18,19)10-8-6-5-7-9-12-11-21-14-13(12)22-16(20)23-15(14)24/h11,21H,3-10H2,1-2H3,(H3,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50308522 (9-[7',7'-Difluoro-7'-(diethylphosphono)heptyl]-9-d...) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C17H27F2N4O4P/c1-3-26-28(25,27-4-2)17(18,19)10-8-6-5-7-9-12-11-21-14-13(12)22-16(20)23-15(14)24/h11,21H,3-10H2,1-2H3,(H3,20,22,23,24)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 50 mM inor...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50394443 (CHEMBL2159650) Show SMILES OP(O)(=O)C(F)(F)C[C@@H]1CCOC[C@@H]1Cn1cnc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C13H17F2N4O5P/c14-13(15,25(21,22)23)3-8-1-2-24-5-9(8)4-19-7-18-10-11(19)16-6-17-12(10)20/h6-9H,1-5H2,(H,16,17,20)(H2,21,22,23)/t8-,9-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of bovine PNP using 7-methylguanosine as substrate by spectrophotometric based coupled assay				Bioorg Med Chem 20: 6758-69 (2012) Article DOI: 10.1016/j.bmc.2012.08.045 BindingDB Entry DOI: 10.7270/Q23N24H7
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50322033 (2-Methylisoindole-1,3-dione-5-yl 3-(6-aminopyridin...) Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)nc3)cc2C1=O Show InChI InChI=1S/C17H15N3O4/c1-20-16(22)12-5-4-11(8-13(12)17(20)23)24-15(21)7-3-10-2-6-14(18)19-9-10/h2,4-6,8-9H,3,7H2,1H3,(H2,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to bovine thrombin after 3 mins				Bioorg Med Chem 18: 5323-38 (2010) Article DOI: 10.1016/j.bmc.2010.05.037 BindingDB Entry DOI: 10.7270/Q2Z0394Z
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50322034 (2-(4-Cyanophenyl)isoindole-1,3-dione-5-yl(E)-3-(4-...) Show SMILES Nc1ccc(CCC(=O)Oc2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C24H17N3O4/c25-14-16-3-8-18(9-4-16)27-23(29)20-11-10-19(13-21(20)24(27)30)31-22(28)12-5-15-1-6-17(26)7-2-15/h1-4,6-11,13H,5,12,26H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to bovine thrombin after 3 mins				Bioorg Med Chem 18: 5323-38 (2010) Article DOI: 10.1016/j.bmc.2010.05.037 BindingDB Entry DOI: 10.7270/Q2Z0394Z
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50322032 (2-Methylisoindole-1,3-dione-5-yl 3-(4-aminophenyl)...) Show SMILES CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O Show InChI InChI=1S/C18H16N2O4/c1-20-17(22)14-8-7-13(10-15(14)18(20)23)24-16(21)9-4-11-2-5-12(19)6-3-11/h2-3,5-8,10H,4,9,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to bovine thrombin after 3 mins				Bioorg Med Chem 18: 5323-38 (2010) Article DOI: 10.1016/j.bmc.2010.05.037 BindingDB Entry DOI: 10.7270/Q2Z0394Z
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50322035 (2-(4-cyanophenyl)isoindole-1,3-dione-5-yl 3-(2-ami...) Show SMILES Nc1ccc(CCC(=O)Oc2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C#N)cn1 Show InChI InChI=1S/C23H16N4O4/c24-12-14-1-5-16(6-2-14)27-22(29)18-8-7-17(11-19(18)23(27)30)31-21(28)10-4-15-3-9-20(25)26-13-15/h1-3,5-9,11,13H,4,10H2,(H2,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Binding affinity to bovine thrombin after 3 mins				Bioorg Med Chem 18: 5323-38 (2010) Article DOI: 10.1016/j.bmc.2010.05.037 BindingDB Entry DOI: 10.7270/Q2Z0394Z
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346888 (CHEMBL1797815) Show SMILES OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O |r| Show InChI InChI=1S/C36H62O31/c37-1-8(44)15(46)27(9(45)2-38)63-33-23(54)18(49)29(11(4-40)59-33)65-35-25(56)20(51)31(13(6-42)61-35)67-36-26(57)21(52)30(14(7-43)62-36)66-34-24(55)19(50)28(12(5-41)60-34)64-32-22(53)17(48)16(47)10(3-39)58-32/h1,8-36,38-57H,2-7H2/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	4.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 4				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346887 (CHEMBL1797814) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](S[C@@H]3C=C(CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:17| Show InChI InChI=1S/C26H44O19S/c1-40-24-19(38)16(35)22(9(5-29)42-24)45-26-20(39)17(36)23(10(6-30)43-26)46-11-2-7(3-27)21(15(34)13(11)32)44-25-18(37)14(33)12(31)8(4-28)41-25/h2,8-39H,3-6H2,1H3/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346884 (CHEMBL1797811) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](S[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H44O20S/c1-39-22-16(36)12(32)19(7(3-27)41-22)44-24-17(37)14(34)21(9(5-29)42-24)46-25-18(38)13(33)20(8(4-28)43-25)45-23-15(35)11(31)10(30)6(2-26)40-23/h6-38H,2-5H2,1H3/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346885 (CHEMBL1797812) Show SMILES CO[C@H]1O[C@H](CO)[C@@H](S[C@@H]2C=C(CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:10| Show InChI InChI=1S/C20H34O14S/c1-31-19-16(30)14(28)18(8(5-23)33-19)35-9-2-6(3-21)17(13(27)11(9)25)34-20-15(29)12(26)10(24)7(4-22)32-20/h2,7-30H,3-5H2,1H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19+,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346886 (CHEMBL1797813) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](S[C@@H]2C=C(CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r,t:10| Show InChI InChI=1S/C20H34O14S/c1-31-19-16(30)14(28)18(8(5-23)33-19)35-9-2-6(3-21)17(13(27)11(9)25)34-20-15(29)12(26)10(24)7(4-22)32-20/h2,7-30H,3-5H2,1H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346883 (CHEMBL1797810) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H34O15S/c1-30-17-13(28)11(26)16(7(4-22)32-17)35-19-14(29)10(25)15(6(3-21)33-19)34-18-12(27)9(24)8(23)5(2-20)31-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Endoglucanase-5 (Humicola insolens)	BDBM50346882 (CHEMBL1797809) Show SMILES CO[C@H]1O[C@H](CO)[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H34O15S/c1-30-17-13(28)11(26)16(7(4-22)32-17)35-19-14(29)10(25)15(6(3-21)33-19)34-18-12(27)9(24)8(23)5(2-20)31-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	3.0	n/a
Hirosaki University Curated by ChEMBL					Assay Description Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry				Bioorg Med Chem 19: 3812-30 (2011) Article DOI: 10.1016/j.bmc.2011.04.048 BindingDB Entry DOI: 10.7270/Q2057G8C
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239749 (2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...) Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239749 (2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...) Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239749 (2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...) Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50239749 (2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...) Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50373360 (CHEMBL263917) Show SMILES CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50373360 (CHEMBL263917) Show SMILES CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293856 (1-(2,2-dimethyl-1,3-dioxan-5-yl)-3-{[1S,3R,6S)-2,1...) Show SMILES OC[C@@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50373365 (CHEMBL258710) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCNCC1 Show InChI InChI=1S/C16H23ClN4S/c1-3-11(4-2)22-16-19-13-9-12(17)15(10-14(13)20-16)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50260633 ((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...) Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293855 (4-{3-[(2R)-2,3-dihydroxypropyl]-2-oxo-2,3-dihydro-...) Show SMILES OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-16-20(30)14-27-22-3-1-2-4-23(22)28(24(27)31)19-7-11-26(12-8-19)15-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50083230 (1-((3R,4R)-1-Cyclooctylmethyl-3-hydroxymethyl-pipe...) Show SMILES CCn1c2ccccc2n([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)c1=O Show InChI InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50293857 (1-(1,3-dihydroxypropan-2-yl)-3-(1-((1R,3S,4S)-spir...) Show SMILES OCC(CO)n1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r| Show InChI InChI=1S/C25H35N3O3/c29-15-20(16-30)28-23-4-2-1-3-22(23)27(24(28)31)19-7-11-26(12-8-19)14-21-17-5-6-18(13-17)25(21)9-10-25/h1-4,17-21,29-30H,5-16H2/t17-,18+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells				J Med Chem 52: 4091-4 (2009) Article DOI: 10.1021/jm900581g BindingDB Entry DOI: 10.7270/Q2V98835
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50373362 (CHEMBL263919) Show SMILES CCC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C18H27ClN4OS/c1-4-18(2,3)25-17-20-14-11-13(19)16(12-15(14)21-17)23-7-5-22(6-8-23)9-10-24/h11-12,24H,4-10H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM29995 (CHEMBL494350 | benzimidazole-based antagonist, 1) Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r| Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50368147 ((+)-(3R,5S)-fluvastatin | (3R,5S)-fluvastatin | (3...) Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA				Bioorg Med Chem Lett 19: 4228-31 (2009) Article DOI: 10.1016/j.bmcl.2009.05.100 BindingDB Entry DOI: 10.7270/Q22F7PCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nociceptin receptor (Homo sapiens (Human))	BDBM50239745 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 3282-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.037 BindingDB Entry DOI: 10.7270/Q2542NDJ
					More data for this Ligand-Target Pair

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