Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'chen' and Initial = 'mj'   

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
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM403460 (US10335399, Example 2-5 | US10806724, Example 2-5) Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM403460 (US10335399, Example 2-5 | US10806724, Example 2-5) Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50584759 (CHEMBL5089623) Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50584759 (CHEMBL5089623) Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50223216 (CHEMBL3348562) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(F)(F)C1N=NN=N1 |c:30,32| Show InChI InChI=1S/C20H22F2N4O/c1-19-9-8-14-13-5-3-12(20(21,22)18-23-25-26-24-18)10-11(13)2-4-15(14)16(19)6-7-17(19)27/h3,5,10,14-16,18H,2,4,6-9H2,1H3/t14-,15-,16+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366887 (CHEMBL1627329) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(O)(=O)=O)[C@@H]1CCC2C=O |r| Show InChI InChI=1S/C20H24F2O4S/c1-19-9-8-16-15-6-3-13(20(21,22)27(24,25)26)10-12(15)2-5-17(16)18(19)7-4-14(19)11-23/h3,6,10-11,14,16-18H,2,4-5,7-9H2,1H3,(H,24,25,26)/t14?,16-,17-,18+,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072590 (CHEMBL109531 | Sodium; biphenyl-3-yl-difluoro-meth...) Show SMILES [O-]S(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Binding affinity against Protein tyrosine phosphatase-1B (PTP1B)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366886 (CHEMBL1628110) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(F)(F)S(O)(=O)=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H22F2O4S/c1-18-9-8-14-13-5-3-12(19(20,21)26(23,24)25)10-11(13)2-4-15(14)16(18)6-7-17(18)22/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,23,24,25)/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Competitive inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366524 (ESTRONE | ESTROPIPATE | Estrone 3-sulfate | Estron...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS) desulfation of 4-MUS				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366888 (CHEMBL1627836) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(Cc5nnn[nH]5)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C20H24N4O/c1-20-9-8-15-14-4-2-12(11-19-21-23-24-22-19)10-13(14)3-5-16(15)17(20)6-7-18(20)25/h2,4,10,15-17H,3,5-9,11H2,1H3,(H,21,22,23,24)/t15-,16-,17+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072593 (5-(Biphenyl-3-yl-difluoro-methyl)-1-sodium-1H-tetr...) Show SMILES FC(F)(c1nn[n-]n1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H9F2N4/c15-14(16,13-17-19-20-18-13)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H/q-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366885 (CHEMBL1628114) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(O)(=O)=O)ccc34)[C@@H]1CCC2C=O |r| Show InChI InChI=1S/C20H26O4S/c1-20-9-8-17-16-5-2-13(12-25(22,23)24)10-14(16)3-6-18(17)19(20)7-4-15(20)11-21/h2,5,10-11,15,17-19H,3-4,6-9,12H2,1H3,(H,22,23,24)/t15?,17-,18-,19+,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366884 (CHEMBL1628109) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(O)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H24O4S/c1-19-9-8-15-14-4-2-12(11-24(21,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)20/h2,4,10,15-17H,3,5-9,11H2,1H3,(H,21,22,23)/t15-,16-,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS)				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Cn1cc[nH]c1=S Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungkuang University Curated by ChEMBL					Assay Description Mixed-type inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot...				Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50497083 (CHEMBL3260774) Show SMILES Sc1ncc[nH]1 Show InChI InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungkuang University Curated by ChEMBL					Assay Description Mixed-type inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot...				Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50366884 (CHEMBL1628109) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(CS(O)(=O)=O)ccc34)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H24O4S/c1-19-9-8-15-14-4-2-12(11-24(21,22)23)10-13(14)3-5-16(15)17(19)6-7-18(19)20/h2,4,10,15-17H,3,5-9,11H2,1H3,(H,21,22,23)/t15-,16-,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibitory activity against steroid sulfatase (STS) using methodology of Li et al.				Bioorg Med Chem Lett 14: 151-5 (2003) BindingDB Entry DOI: 10.7270/Q28K79NV
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50497084 (CHEMBL3260775) Show SMILES Cn1ccn(C(=O)OC(C)(C)C)c1=S Show InChI InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-5-10(4)7(11)14/h5-6H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.75E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungkuang University Curated by ChEMBL					Assay Description Noncompetitive inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk ...				Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM403460 (US10335399, Example 2-5 | US10806724, Example 2-5) Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative allosteric modulation activity at human recombinant mGlur2 expressed in CHO cells in presence of cAMP by chemiluminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM393885 (US10597367, Example 182 | US9969726, Example 182) Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5| Show InChI InChI=1S/C15H9BrN4O/c16-10-1-2-12-14(6-10)20-15(21)7-13(19-12)9-3-4-18-11(5-9)8-17/h1-6H,7H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative allosteric modulator activity at human recombinant mGlur2 expressed in HEK293 cells by calcium assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50584759 (CHEMBL5089623) Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative allosteric modulation activity at human recombinant mGlur2 expressed in CHO cells in presence of cAMP by chemiluminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50584759 (CHEMBL5089623) Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative allosteric modulation activity at human recombinant mGlur2 expressed in CHO cells in presence of cAMP by chemiluminescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02004 BindingDB Entry DOI: 10.7270/Q2TQ65FG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353025 (CHEMBL1821987) Show SMILES CC(C)CNC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5OCOc5c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 |r,c:8,27| Show InChI InChI=1S/C26H31NO3/c1-14(2)12-27-26(28)19-5-4-16-11-21-20(18-7-6-17(19)24(16)25(18)21)9-15-3-8-22-23(10-15)30-13-29-22/h3-8,10,14,16-21,24-25H,9,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,21+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072595 ((Biphenyl-3-yl-difluoro-methyl)-phosphonium | CHEM...) Show SMILES [O-]P([O-])(=O)OC(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C13H11F2O4P/c14-13(15,19-20(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)/p-2	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against PTP1B as a model Protein tyrosine transferase(PTP) using fluorescein diphosphate as substrate at Km concentration (20 uM)...				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353027 (CHEMBL1821990) Show SMILES CC(C)CNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@@H]4[C@H]3[C@@H]2C=C[C@H]14 |r,c:31,TLB:11:24:8.7:27.28,9:8:25.24:27.28,10:25:8.7:27.28,THB:11:10:26:7.29.24,5:7:25.24:27.28| Show InChI InChI=1S/C26H33NO3/c1-14(2)12-27-26(28)25-18-8-7-17-20(25)11-19-16(23(18)24(17)19)5-3-4-15-6-9-21-22(10-15)30-13-29-21/h6-10,14,16-20,23-25H,3-5,11-13H2,1-2H3,(H,27,28)/t16-,17+,18-,19-,20-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50207159 (2-aminoguanidine | 2-azanylguanidine | AMINOGUANID...) Show SMILES NNC(N)=N Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072597 ((Difluoro-naphthalen-2-yl-methyl)-phosphonium | CH...) Show SMILES [O-]P([O-])(=O)OC(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H9F2O4P/c12-11(13,17-18(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)/p-2	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	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353026 (CHEMBL1821989) Show SMILES OC(=O)\C=C\[C@@H]1[C@@H]2C[C@H]3[C@H](CCCCCc4ccc5OCOc5c4)[C@H]4[C@H]3[C@@H]2C=C[C@@H]14 |r,c:31,TLB:7:6:25.24:27.28,8:25:6.5:27.28,9:24:6.5:27.28,THB:4:5:25.24:27.28| Show InChI InChI=1S/C26H30O4/c27-24(28)11-9-16-18-7-8-19-20(16)13-21-17(25(18)26(19)21)5-3-1-2-4-15-6-10-22-23(12-15)30-14-29-22/h6-12,16-21,25-26H,1-5,13-14H2,(H,27,28)/b11-9+/t16-,17-,18-,19+,20-,21-,25+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353024 (CHEMBL1821986) Show SMILES OC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5OCOc5c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 |r,c:4,23| Show InChI InChI=1S/C22H22O4/c23-22(24)15-3-2-12-9-17-16(14-5-4-13(15)20(12)21(14)17)7-11-1-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,20-21H,7,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,17+,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353030 (CHEMBL1821993) Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C23H28O7/c1-12-13(2)21(15-9-18(26-5)23-19(10-15)28-11-29-23)30-20(12)14-7-16(24-3)22(27-6)17(8-14)25-4/h7-10,12-13,20-21H,11H2,1-6H3/t12-,13-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353023 (CHEMBL1821985) Show SMILES OC(=O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 |r,c:4,25| Show InChI InChI=1S/C24H26O4/c25-24(26)18-6-5-14-11-19-15(16-7-8-17(18)22(14)23(16)19)3-1-2-13-4-9-20-21(10-13)28-12-27-20/h4-10,14-19,22-23H,1-3,11-12H2,(H,25,26)/t14-,15-,16-,17+,18-,19+,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353029 (CHEMBL1821992) Show SMILES COc1cc(cc(OC)c1OC)[C@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C24H30O9/c1-13(14(2)25)21(15-9-17(27-3)22(31-7)18(10-15)28-4)33-24(26)16-11-19(29-5)23(32-8)20(12-16)30-6/h9-13,21H,1-8H3/t13-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353028 (CHEMBL1821991) Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc(O)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C22H26O7/c1-11-12(2)20(14-8-17(25-4)22-18(9-14)27-10-28-22)29-19(11)13-6-15(23)21(26-5)16(7-13)24-3/h6-9,11-12,19-20,23H,10H2,1-5H3/t11-,12-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353031 (CHEMBL1821994) Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@H]([C@H](C)[C@H]1C)c1cc2OCOc2c(OC)c1 |r| Show InChI InChI=1S/C22H24O7/c1-11-12(2)20(14-6-16(24-4)22-18(8-14)26-10-28-22)29-19(11)13-5-15(23-3)21-17(7-13)25-9-27-21/h5-8,11-12,19-20H,9-10H2,1-4H3/t11-,12-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50353032 (CHEMBL1821988) Show SMILES OC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](CCCc4ccc5OCOc5c4)[C@@H]4[C@H]3[C@@H]2C=C[C@H]14 |r,c:27,TLB:7:20:4.3:23.24,5:4:21.20:23.24,6:21:4.3:23.24,THB:23:22:5.6:3.25.20,1:3:21.20:23.24| Show InChI InChI=1S/C22H24O4/c23-22(24)21-14-6-5-13-16(21)9-15-12(19(14)20(13)15)3-1-2-11-4-7-17-18(8-11)26-10-25-17/h4-8,12-16,19-21H,1-3,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072590 (CHEMBL109531 | Sodium; biphenyl-3-yl-difluoro-meth...) Show SMILES [O-]S(=O)(=O)C(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C13H10F2O3S/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)/p-1	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	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Binding affinity against Protein tyrosine phosphatase-1B (PTP1B)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide product...				J Nat Prod 74: 1875-80 (2011) Article DOI: 10.1021/np200279r BindingDB Entry DOI: 10.7270/Q2474B72
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072598 (CHEMBL109646 | Sodium; difluoro-naphthalen-2-yl-me...) Show SMILES [O-]S(=O)(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C11H8F2O3S/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,14,15,16)/p-1	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	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072593 (5-(Biphenyl-3-yl-difluoro-methyl)-1-sodium-1H-tetr...) Show SMILES FC(F)(c1nn[n-]n1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H9F2N4/c15-14(16,13-17-19-20-18-13)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H/q-1	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	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072592 (1-Sodium-5-(difluoro-naphthalen-2-yl-methyl)-1H-te...) Show SMILES FC(F)(c1nn[n-]n1)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H7F2N4/c13-12(14,11-15-17-18-16-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/q-1	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	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072591 (2-(Biphenyl-3-yloxy)-2-fluoro-malonic acid | CHEMB...) Show SMILES [O-]C(=O)C(F)(Oc1cccc(c1)-c1ccccc1)C([O-])=O Show InChI InChI=1S/C15H11FO5/c16-15(13(17)18,14(19)20)21-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,17,18)(H,19,20)/p-2	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	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072596 (2-Fluoro-2-(naphthalen-2-yloxy)-malonic acid | CHE...) Show SMILES [O-]C(=O)C(F)(Oc1ccc2ccccc2c1)C([O-])=O Show InChI InChI=1S/C13H9FO5/c14-13(11(15)16,12(17)18)19-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)(H,17,18)/p-2	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	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072594 (CHEMBL114030 | Sodium; biphenyl-3-yl-difluoro-acet...) Show SMILES [O-]C(=O)C(F)(F)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C14H10F2O2/c15-14(16,13(17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,17,18)/p-1	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	4.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50072589 (CHEMBL110361 | Sodium; difluoro-naphthalen-2-yl-ac...) Show SMILES [O-]C(=O)C(F)(F)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,15,16)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)				Bioorg Med Chem Lett 8: 3275-80 (1999) BindingDB Entry DOI: 10.7270/Q20R9NK3
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50241361 (CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...) Show SMILES Cn1cc[nH]c1=S Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hungkuang University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA				Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50497084 (CHEMBL3260775) Show SMILES Cn1ccn(C(=O)OC(C)(C)C)c1=S Show InChI InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-5-10(4)7(11)14/h5-6H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hungkuang University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA				Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50497083 (CHEMBL3260774) Show SMILES Sc1ncc[nH]1 Show InChI InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.11E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hungkuang University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA				Bioorg Med Chem 22: 2809-15 (2014) Article DOI: 10.1016/j.bmc.2014.03.009 BindingDB Entry DOI: 10.7270/Q2417125
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194617 (CHEMBL3926416) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C22H22F5N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27/h3-6,12,14H,1-2,7-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	166	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00593 BindingDB Entry DOI: 10.7270/Q2FB571B
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50194707 (CHEMBL3938796) Show SMILES Fc1ccc(C2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 Show InChI InChI=1S/C23H23F5N4/c24-17-3-4-18(19(25)12-17)15-5-8-31(9-6-15)13-16-7-10-32-20(11-14-1-2-14)29-30-22(32)21(16)23(26,27)28/h3-4,7,10,12,14-15H,1-2,5-6,8-9,11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00593 BindingDB Entry DOI: 10.7270/Q2FB571B
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50601001 (CHEMBL5207431) Show SMILES Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00593 BindingDB Entry DOI: 10.7270/Q2FB571B
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50601002 (CHEMBL5208947) Show SMILES Fc1cc(Cl)ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.30	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00593 BindingDB Entry DOI: 10.7270/Q2FB571B
					More data for this Ligand-Target Pair

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