Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'shibuya' and Initial = 's'   

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))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
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 PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122309 (((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1 Show InChI InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against schyphostatin of neutral sphingomyelinase (N-SMase) from bovine brain microsome				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122310 (((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222711 (CHEMBL350985) Show SMILES [H][C@@]1(C[C@H](O)[C@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13| Show InChI InChI=1S/C14H22N4O7/c1-5(19)17-11-6(18-14(15)16)2-10(13(22)23)25-12(11)9-3-7(20)8(21)4-24-9/h2,6-9,11-12,20-21H,3-4H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7-,8+,9+,11+,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.84	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222713 (CHEMBL423972) Show SMILES [H][C@]1(OC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:12| Show InChI InChI=1S/C13H20N4O7/c1-4(18)16-8-5(17-13(14)15)2-7(12(21)22)24-10(8)11-9(20)6(19)3-23-11/h2,5-6,8-11,19-20H,3H2,1H3,(H,16,18)(H,21,22)(H4,14,15,17)/t5-,6+,8+,9+,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222710 (CHEMBL349349) Show SMILES [H][C@]1(OCC(F)(F)[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:15| Show InChI InChI=1S/C14H20F2N4O7/c1-4(21)19-7-5(20-13(17)18)2-6(12(24)25)27-9(7)10-8(22)11(23)14(15,16)3-26-10/h2,5,7-11,22-23H,3H2,1H3,(H,19,21)(H,24,25)(H4,17,18,20)/t5-,7+,8-,9+,10+,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27.1	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222706 (CHEMBL159225) Show SMILES [H][C@]1(OCC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13| Show InChI InChI=1S/C14H22N4O7/c1-5(19)17-9-6(18-14(15)16)4-8(13(22)23)25-11(9)12-10(21)7(20)2-3-24-12/h4,6-7,9-12,20-21H,2-3H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7+,9+,10+,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28.7	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222712 (CHEMBL351695) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@]1([H])OCCC[C@@H](O)[C@H]1O |c:3| Show InChI InChI=1S/C15H24N4O7/c1-6(20)18-10-7(19-15(16)17)5-9(14(23)24)26-12(10)13-11(22)8(21)3-2-4-25-13/h5,7-8,10-13,21-22H,2-4H2,1H3,(H,18,20)(H,23,24)(H4,16,17,19)/t7-,8+,10+,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33.3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	36.1	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081806 (CHEMBL94920 | {1,1-Difluoro-2-[(3R,4S)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081806 (CHEMBL94920 | {1,1-Difluoro-2-[(3R,4S)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222715 (CHEMBL161713) Show SMILES [H][C@@]1(CCCCO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:11| Show InChI InChI=1S/C14H22N4O5/c1-7(19)17-11-8(18-14(15)16)6-10(13(20)21)23-12(11)9-4-2-3-5-22-9/h6,8-9,11-12H,2-5H2,1H3,(H,17,19)(H,20,21)(H4,15,16,18)/t8-,9+,11+,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122309 (((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1 Show InChI InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Rattus norvegicus)	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory concentration against neutral sphingomyelinase (N-Smase) from rat brain microsomes				Bioorg Med Chem Lett 11: 1277-80 (2001) BindingDB Entry DOI: 10.7270/Q2B56J1S
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222707 (CHEMBL346983) Show SMILES [H][C@]1(C[C@H](O)[C@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13| Show InChI InChI=1S/C14H22N4O7/c1-5(19)17-11-6(18-14(15)16)2-10(13(22)23)25-12(11)9-3-7(20)8(21)4-24-9/h2,6-9,11-12,20-21H,3-4H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7-,8+,9-,11+,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222708 (CHEMBL161355) Show SMILES [H][C@@]1(C[C@@H](O)[C@@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13| Show InChI InChI=1S/C14H22N4O7/c1-5(19)17-11-6(18-14(15)16)2-10(13(22)23)25-12(11)9-3-7(20)8(21)4-24-9/h2,6-9,11-12,20-21H,3-4H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7+,8-,9+,11+,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222714 (CHEMBL351043) Show SMILES [H][C@]1(C[C@@H](O)[C@@H](O)CO1)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:13| Show InChI InChI=1S/C14H22N4O7/c1-5(19)17-11-6(18-14(15)16)2-10(13(22)23)25-12(11)9-3-7(20)8(21)4-24-9/h2,6-9,11-12,20-21H,3-4H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7+,8-,9-,11+,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075302 ((3-ethynylphenyl)(difluoro)methylphosphonate | CHE...) Show SMILES OP(O)(=O)C(F)(F)c1cccc(c1)C#C Show InChI InChI=1S/C9H7F2O3P/c1-2-7-4-3-5-8(6-7)9(10,11)15(12,13)14/h1,3-6H,(H2,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase [1-45,48-631] (Homo sapiens (Human))	BDBM50122309 (((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1 Show InChI InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Acid sphingomyelinase from bovine brain microsome				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Rattus norvegicus)	BDBM50100341 ((2E,4E,6E,12E)-(8R,10S,14R)-8,10,12,14-Tetramethyl...) Show SMILES CC[C@@H](C)\C=C(/C)C[C@@H](C)C[C@@H](C)\C=C\C=C\C=C\C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O |c:32| Show InChI InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory concentration against lysosomal neutral sphingomyelinase (N-Smase)				Bioorg Med Chem Lett 11: 1277-80 (2001) BindingDB Entry DOI: 10.7270/Q2B56J1S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075306 (CHEMBL151494 | {3-[bis(methylsulfonyl)amino]-4-[(E...) Show SMILES CS(=O)(=O)N(c1cc(ccc1\C=C\c1ccccc1)C(F)(F)P(O)(O)=O)S(C)(=O)=O Show InChI InChI=1S/C17H18F2NO7PS2/c1-29(24,25)20(30(2,26)27)16-12-15(17(18,19)28(21,22)23)11-10-14(16)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075313 (CHEMBL150915 | [(4-Ethynyl-phenyl)-difluoro-methyl...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C#C Show InChI InChI=1S/C9H7F2O3P/c1-2-7-3-5-8(6-4-7)9(10,11)15(12,13)14/h1,3-6H,(H2,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075310 (CHEMBL357094 | [3-[bis(methylsulfonyl)amino]-4-(ph...) Show SMILES CS(=O)(=O)N(c1cc(ccc1C#Cc1ccccc1)C(F)(F)P(O)(O)=O)S(C)(=O)=O Show InChI InChI=1S/C17H16F2NO7PS2/c1-29(24,25)20(30(2,26)27)16-12-15(17(18,19)28(21,22)23)11-10-14(16)9-8-13-6-4-3-5-7-13/h3-7,10-12H,1-2H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075305 (CHEMBL149279 | [Difluoro-(4-phenylethynyl-phenyl)-...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C15H11F2O3P/c16-15(17,21(18,19)20)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075309 (CHEMBL150420 | [Difluoro-(3-phenylethynyl-phenyl)-...) Show SMILES OP(O)(=O)C(F)(F)c1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C15H11F2O3P/c16-15(17,21(18,19)20)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075303 (CHEMBL150349 | [Difluoro-(3-methanesulfonylamino-4...) Show SMILES CS(=O)(=O)Nc1cc(ccc1C#Cc1ccccc1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C16H14F2NO5PS/c1-26(23,24)19-15-11-14(16(17,18)25(20,21)22)10-9-13(15)8-7-12-5-3-2-4-6-12/h2-6,9-11,19H,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075311 (CHEMBL150350 | [Difluoro-(3-methanesulfonylamino-4...) Show SMILES CS(=O)(=O)Nc1cc(ccc1\C=C\c1ccccc1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C16H16F2NO5PS/c1-26(23,24)19-15-11-14(16(17,18)25(20,21)22)10-9-13(15)8-7-12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,20,21,22)/b8-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122309 (((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1 Show InChI InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122309 (((3S,4R)-1,1-Difluoro-3-hexadecanoylamino-4-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(O)(O)=O)[C@H](O)c1ccccc1 Show InChI InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122310 (((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122310 (((2R,3R,4R)-1,1-Difluoro-3-hexadecanoylamino-2,4-d...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C26H44F2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(30)29-23(24(31)21-18-15-14-16-19-21)25(32)26(27,28)36(33,34)35/h14-16,18-19,23-25,31-32H,2-13,17,20H2,1H3,(H,29,30)(H2,33,34,35)/t23-,24-,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075314 (CHEMBL151300 | difluoro{3-[(E)-2-phenylvinyl]pheny...) Show SMILES OP(O)(=O)C(F)(F)c1cccc(\C=C\c2ccccc2)c1 Show InChI InChI=1S/C15H13F2O3P/c16-15(17,21(18,19)20)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,(H2,18,19,20)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Sphingomyelin phosphodiesterase 2 (Homo sapiens (Human))	BDBM50122311 (CHEMBL77022 | {2-[((E)-(3S,4R)-1,1-Difluoro-4-hydr...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C42H83F2N2O5P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(48)45-39(38-42(43,44)52(49,50)51-37-36-46(3,4)5)40(47)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,47H,6-31,33,35-38H2,1-5H3,(H-,45,48,49,50)/b34-32+/t39-,40+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory activity of the compound against neutral sphingomyelinase (N-SMase) from bovine brain microsomes				Bioorg Med Chem Lett 13: 229-36 (2002) BindingDB Entry DOI: 10.7270/Q2K64HFH
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075304 (CHEMBL150295 | {Difluoro-[4-((E)-styryl)-phenyl]-m...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C15H13F2O3P/c16-15(17,21(18,19)20)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H2,18,19,20)/b7-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075307 (CHEMBL150202 | [Difluoro-(4'-methoxy-biphenyl-4-yl...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C14H13F2O4P/c1-20-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)21(17,18)19/h2-9H,1H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075312 ((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...) Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50075308 ((Biphenyl-4-yl-difluoro-methyl)-phosphonic acid | ...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C13H11F2O3P/c14-13(15,19(16,17)18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate				Bioorg Med Chem Lett 9: 529-32 (1999) BindingDB Entry DOI: 10.7270/Q29K49DW
					More data for this Ligand-Target Pair				3D Structure (docked)
Probable G-protein coupled receptor 142 (Homo sapiens (Human))	BDBM50437420 (CHEMBL2409014) Show SMILES CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cncn1CC(O)=O Show InChI InChI=1S/C23H25N7O3S/c1-3-4-6-18-17(22(33)25-11-16-10-24-14-29(16)13-20(31)32)12-27-30(18)23-26-9-15(2)21(28-23)19-7-5-8-34-19/h5,7-10,12,14H,3-4,6,11,13H2,1-2H3,(H,25,33)(H,31,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR142 transfected in HEK293 cells after 1 hr by inositol phosphate accumulation assay				ACS Med Chem Lett 4: 790-4 (2013) Article DOI: 10.1021/ml400186z BindingDB Entry DOI: 10.7270/Q24J0GHW
					More data for this Ligand-Target Pair

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