Marvin 2D Structure

Wt: 270.1 BDBM25462	Wt: 329.7 BDBM54340Purchase	Wt: 209.2 BDBM50172540	Wt: 321.3 BDBM50190337	Wt: 370.3 BDBM50246208
Wt: 278.2 BDBM50328822	Wt: 394.8 BDBM50328833	Wt: 378.8 BDBM50328836	Wt: 404.4 BDBM50328838	Wt: 440.4 BDBM50328842
Wt: 308.3 BDBM50328824	Wt: 347.4 BDBM50328825	Wt: 390.3 BDBM50328826	Wt: 285.3 BDBM50328818	Wt: 279.3 BDBM50328820Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 29 hits in this display   

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
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (Homo sapiens)	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry				J Med Chem 63: 5013-5030 (2020) Article DOI: 10.1021/acs.jmedchem.9b01452 BindingDB Entry DOI: 10.7270/Q28S4T82
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328826 (5-((E)-(4-((E)-(2,4-diamino-5-methylphenyl)diazeny...) Show SMILES Cc1cc(N=Nc2ccc(cc2)N=Nc2ccc(O)c(c2)C(O)=O)c(N)cc1N |w:13.14,5.5| Show InChI InChI=1S/C20H18N6O3/c1-11-8-18(17(22)10-16(11)21)26-24-13-4-2-12(3-5-13)23-25-14-6-7-19(27)15(9-14)20(28)29/h2-10,27H,21-22H2,1H3,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328820 (1-((4-methoxyphenylamino)methyl)naphthalen-2-ol | ...) Show SMILES COc1ccc(NCc2c(O)ccc3ccccc23)cc1 Show InChI InChI=1S/C18H17NO2/c1-21-15-9-7-14(8-10-15)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-11,19-20H,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328818 (6-methoxy-N-(2-(piperidin-2-yl)ethyl)quinolin-8-am...) Show SMILES COc1cc(NCCC2CCCCN2)c2ncccc2c1 Show InChI InChI=1S/C17H23N3O/c1-21-15-11-13-5-4-9-20-17(13)16(12-15)19-10-7-14-6-2-3-8-18-14/h4-5,9,11-12,14,18-19H,2-3,6-8,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50172540 ([2-(4-Amino-benzoyloxy)-ethyl]-dimethyl-ammonium) Show SMILES C[NH+](C)CCOC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3/p+1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328824 (1,3-di(1H-indazol-6-yl)thiourea | CHEMBL1269022 | ...) Show SMILES S=C(Nc1ccc2c[nH]nc2c1)Nc1ccc2c[nH]nc2c1 Show InChI InChI=1S/C15H12N6S/c22-15(18-11-3-1-9-7-16-20-13(9)5-11)19-12-4-2-10-8-17-21-14(10)6-12/h1-8H,(H,16,20)(H,17,21)(H2,18,19,22)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328822 (4-((3-hydroxypyridin-2-yl)diazenyl)benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ncccc1O |w:10.10| Show InChI InChI=1S/C11H10N4O3S/c12-19(17,18)9-5-3-8(4-6-9)14-15-11-10(16)2-1-7-13-11/h1-7,16H,(H2,12,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM54340 (4-[4-(3-chlorophenyl)-1-piperazinyl]-3-methylisoxa...) Show SMILES Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H16ClN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-7-5-21(6-8-22)13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50190337 (5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10| Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte				Bioorg Med Chem Lett 16: 4440-3 (2006) Article DOI: 10.1016/j.bmcl.2006.06.036 BindingDB Entry DOI: 10.7270/Q2ZS2W33
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S75DRW
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM25462 (2,3-dinitro-9H-fluoren-9-one | NSC133896) Show SMILES [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O Show InChI InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM54340 (4-[4-(3-chlorophenyl)-1-piperazinyl]-3-methylisoxa...) Show SMILES Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H16ClN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-7-5-21(6-8-22)13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54340 (4-[4-(3-chlorophenyl)-1-piperazinyl]-3-methylisoxa...) Show SMILES Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H16ClN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-7-5-21(6-8-22)13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM50190337 (5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10| Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 16: 4440-3 (2006) Article DOI: 10.1016/j.bmcl.2006.06.036 BindingDB Entry DOI: 10.7270/Q2ZS2W33
					More data for this Ligand-Target Pair
Concanavalin-A (Canavalia ensiformis)	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Southern University Curated by ChEMBL					Assay Description Inhibition of Canavalia ensiformis concanavalin A binding to yeast mannan by ELLA				Bioorg Med Chem Lett 18: 6573-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.095 BindingDB Entry DOI: 10.7270/Q2ZW1KRJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50190337 (5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10| Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 16: 4440-3 (2006) Article DOI: 10.1016/j.bmcl.2006.06.036 BindingDB Entry DOI: 10.7270/Q2ZS2W33
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50190337 (5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10| Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Institute of Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of COX1 assessed as TBX2 production in human whole blood				Bioorg Med Chem Lett 16: 4440-3 (2006) Article DOI: 10.1016/j.bmcl.2006.06.036 BindingDB Entry DOI: 10.7270/Q2ZS2W33
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328833 (4-(6-chloro-2-methoxyacridin-9-ylamino)-2-hydroxyb...) Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(O)=O)c(O)c3)c2c1 Show InChI InChI=1S/C21H15ClN2O4/c1-28-13-4-7-17-16(10-13)20(14-5-2-11(22)8-18(14)24-17)23-12-3-6-15(21(26)27)19(25)9-12/h2-10,25H,1H3,(H,23,24)(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328825 (9-benzyl-6-(benzylthio)-9H-purin-2-amine | CHEMBL1...) Show SMILES Nc1nc(SCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 Show InChI InChI=1S/C19H17N5S/c20-19-22-17-16(18(23-19)25-12-15-9-5-2-6-10-15)21-13-24(17)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,20,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM50246208 (2-(3,4,5-trihydroxy-6-oxo-6H-xanthen-9-yl)cyclohex...) Show SMILES OC(=O)C1CCCCC1c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 Show InChI InChI=1S/C20H18O7/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(22)17(24)19(12)27-18(11)16(13)23/h5-10,21,23-24H,1-4H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20G3HKD
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328836 (4-(6-chloro-2-methoxyacridin-9-ylamino)benzoic aci...) Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C21H15ClN2O3/c1-27-15-7-9-18-17(11-15)20(16-8-4-13(22)10-19(16)24-18)23-14-5-2-12(3-6-14)21(25)26/h2-11H,1H3,(H,23,24)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328838 (2-hydroxy-5-((4-(N-thiazol-2-ylsulfamoyl)phenyl)di...) Show SMILES OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:11.12| Show InChI InChI=1S/C16H12N4O5S2/c21-14-6-3-11(9-13(14)15(22)23)19-18-10-1-4-12(5-2-10)27(24,25)20-16-17-7-8-26-16/h1-9,21H,(H,17,20)(H,22,23)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50190337 (5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10| Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 2 (Homo sapiens (Human))	BDBM50328842 (2-hydroxy-3-methyl-5-((4-((4-sulfophenyl)diazenyl)...) Show SMILES Cc1cc(cc(C(O)=O)c1O)N=Nc1ccc(cc1)N=Nc1ccc(cc1)S(O)(=O)=O |w:19.20,11.11| Show InChI InChI=1S/C20H16N4O6S/c1-12-10-16(11-18(19(12)25)20(26)27)24-23-14-4-2-13(3-5-14)21-22-15-6-8-17(9-7-15)31(28,29)30/h2-11,25H,1H3,(H,26,27)(H,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli				J Med Chem 53: 6899-911 (2010) Article DOI: 10.1021/jm100331d BindingDB Entry DOI: 10.7270/Q2154H8Z
					More data for this Ligand-Target Pair
cGMP-gated cation channel alpha-1 (Bos taurus)	BDBM50172540 ([2-(4-Amino-benzoyloxy)-ethyl]-dimethyl-ammonium) Show SMILES C[NH+](C)CCOC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+7	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University Curated by ChEMBL					Assay Description Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV				J Med Chem 48: 5805-12 (2005) Article DOI: 10.1021/jm0502485 BindingDB Entry DOI: 10.7270/Q2BC40BH
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54340 (4-[4-(3-chlorophenyl)-1-piperazinyl]-3-methylisoxa...) Show SMILES Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12 Show InChI InChI=1S/C16H16ClN5O/c1-11-14-15(18-10-19-16(14)23-20-11)22-7-5-21(6-8-22)13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
cGMP-gated cation channel alpha-1 (Bos taurus)	BDBM50172540 ([2-(4-Amino-benzoyloxy)-ethyl]-dimethyl-ammonium) Show SMILES C[NH+](C)CCOC(=O)c1ccc(N)cc1 Show InChI InChI=1S/C11H16N2O2/c1-13(2)7-8-15-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+6	n/a	n/a	n/a	n/a	n/a
Oregon Health and Science University Curated by ChEMBL					Assay Description Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV				J Med Chem 48: 5805-12 (2005) Article DOI: 10.1021/jm0502485 BindingDB Entry DOI: 10.7270/Q2BC40BH
					More data for this Ligand-Target Pair
Adenosine 5'-phosphosulfate reductase (Mycobacterium tuberculosis)	BDBM25462 (2,3-dinitro-9H-fluoren-9-one | NSC133896) Show SMILES [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O Show InChI InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.71E+4	n/a	n/a	n/a	7.5	30
The Scripps Research Institute					Assay Description Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...				J Med Chem 51: 6627-30 (2008) Article DOI: 10.1021/jm800571m BindingDB Entry DOI: 10.7270/Q2PK0DFG
					More data for this Ligand-Target Pair