Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'gerhäuser' and Initial = 'c'   

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
Histone deacetylase 2b (Zea mays)	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115662 (CHEMBL320038 | Octanedioic acid hydroxyamide ((S)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c29-23(15-9-1-2-10-16-24(30)28-32)27-22(19-21-13-7-4-8-14-21)25(31)26-18-17-20-11-5-3-6-12-20/h3-8,11-14,22,32H,1-2,9-10,15-19H2,(H,26,31)(H,27,29)(H,28,30)/t22-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 1 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115654 (CHEMBL111993 | Octanedioic acid hydroxyamide ((S)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H35N3O4/c33-27(17-6-1-2-7-18-28(34)32-36)31-26(29(35)30-20-19-22-11-4-3-5-12-22)21-24-15-10-14-23-13-8-9-16-25(23)24/h3-5,8-16,26,36H,1-2,6-7,17-21H2,(H,30,35)(H,31,33)(H,32,34)/t26-/m0/s1	KEGG UniProtKB/TrEMBL 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
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115653 (CHEMBL113095 | Octanedioic acid ((S)-1-benzylcarba...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c28-22(15-9-1-2-10-16-23(29)27-31)26-21(17-19-11-5-3-6-12-19)24(30)25-18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,1-2,9-10,15-18H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 1 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115657 ((S)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-naphth...) Show SMILES COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C22H28N2O5/c1-29-22(27)19(15-16-12-13-17-8-6-7-9-18(17)14-16)23-20(25)10-4-2-3-5-11-21(26)24-28/h6-9,12-14,19,28H,2-5,10-11,15H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115649 (CHEMBL110906 | Octanedioic acid hydroxyamide ((S)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H29N3O4/c27-21(15-9-1-2-10-16-22(28)26-30)25-20(17-18-11-5-3-6-12-18)23(29)24-19-13-7-4-8-14-19/h3-8,11-14,20,30H,1-2,9-10,15-17H2,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082660 (Biphenyl-4-carboxylic acid (5-hydroxycarbamoyl-pen...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C19H22N2O3/c22-18(21-24)9-5-2-6-14-20-19(23)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,24H,2,5-6,9,14H2,(H,20,23)(H,21,22)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082665 (4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082666 (4-(Dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]b...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C15H23N3O3/c1-18(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(19)17-21/h7-10,21H,3-6,11H2,1-2H3,(H,16,20)(H,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115665 ((S)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-(1H-in...) Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C20H27N3O5/c1-28-20(26)17(12-14-13-21-16-9-7-6-8-15(14)16)22-18(24)10-4-2-3-5-11-19(25)23-27/h6-9,13,17,21,27H,2-5,10-12H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115649 (CHEMBL110906 | Octanedioic acid hydroxyamide ((S)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H29N3O4/c27-21(15-9-1-2-10-16-22(28)26-30)25-20(17-18-11-5-3-6-12-18)23(29)24-19-13-7-4-8-14-19/h3-8,11-14,20,30H,1-2,9-10,15-17H2,(H,24,29)(H,25,27)(H,26,28)/t20-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 1 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082663 (CHEMBL143802 | N-(5-Hydroxycarbamoyl-pentyl)-4-met...) Show SMILES COc1ccc(cc1)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C14H20N2O4/c1-20-12-8-6-11(7-9-12)14(18)15-10-4-2-3-5-13(17)16-19/h6-9,19H,2-5,10H2,1H3,(H,15,18)(H,16,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115653 (CHEMBL113095 | Octanedioic acid ((S)-1-benzylcarba...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H31N3O4/c28-22(15-9-1-2-10-16-23(29)27-31)26-21(17-19-11-5-3-6-12-19)24(30)25-18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,1-2,9-10,15-18H2,(H,25,30)(H,26,28)(H,27,29)/t21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082664 (4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide |...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C13H17ClN2O3/c14-11-7-5-10(6-8-11)13(18)15-9-3-1-2-4-12(17)16-19/h5-8,19H,1-4,9H2,(H,15,18)(H,16,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082661 (CHEMBL139999 | N-(5-Hydroxycarbamoyl-pentyl)-4-nit...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C13H17N3O5/c17-12(15-19)4-2-1-3-9-14-13(18)10-5-7-11(8-6-10)16(20)21/h5-8,19H,1-4,9H2,(H,14,18)(H,15,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082659 (4-(dimethylamino)-N-{4-[(hydroxyamino)carbonyl]ben...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H19N3O3/c1-20(2)15-9-7-13(8-10-15)16(21)18-11-12-3-5-14(6-4-12)17(22)19-23/h3-10,23H,11H2,1-2H3,(H,18,21)(H,19,22)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115659 ((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...) Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115648 (2-(7-Hydroxycarbamoyl-heptanoylamino)-3-(4-methoxy...) Show SMILES COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C19H28N2O6/c1-26-15-11-9-14(10-12-15)13-16(19(24)27-2)20-17(22)7-5-3-4-6-8-18(23)21-25/h9-12,16,25H,3-8,13H2,1-2H3,(H,20,22)(H,21,23)/t16-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082657 (4-Dimethylamino-N-(7-hydroxycarbamoyl-heptyl)-benz...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C17H27N3O3/c1-20(2)15-11-9-14(10-12-15)17(22)18-13-7-5-3-4-6-8-16(21)19-23/h9-12,23H,3-8,13H2,1-2H3,(H,18,22)(H,19,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115661 (CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...) Show SMILES ONC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115662 (CHEMBL320038 | Octanedioic acid hydroxyamide ((S)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c29-23(15-9-1-2-10-16-24(30)28-32)27-22(19-21-13-7-4-8-14-21)25(31)26-18-17-20-11-5-3-6-12-20/h3-8,11-14,22,32H,1-2,9-10,15-19H2,(H,26,31)(H,27,29)(H,28,30)/t22-/m0/s1	KEGG UniProtKB/TrEMBL 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
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115655 (CHEMBL111919 | Octanedioic acid hydroxyamide ((R)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C25H33N3O4/c29-23(15-9-1-2-10-16-24(30)28-32)27-22(19-21-13-7-4-8-14-21)25(31)26-18-17-20-11-5-3-6-12-20/h3-8,11-14,22,32H,1-2,9-10,15-19H2,(H,26,31)(H,27,29)(H,28,30)/t22-/m1/s1	KEGG UniProtKB/TrEMBL 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
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115652 ((S)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-naphth...) Show SMILES COC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C22H28N2O5/c1-29-22(27)19(15-17-11-8-10-16-9-6-7-12-18(16)17)23-20(25)13-4-2-3-5-14-21(26)24-28/h6-12,19,28H,2-5,13-15H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115664 (CHEMBL419029 | Octanedioic acid hydroxyamide [(S)-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C26H35N3O4/c30-24(17-9-1-2-10-18-25(31)29-33)28-23(20-22-14-7-4-8-15-22)26(32)27-19-11-16-21-12-5-3-6-13-21/h3-8,12-15,23,33H,1-2,9-11,16-20H2,(H,27,32)(H,28,30)(H,29,31)/t23-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115646 ((S)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115647 (CHEMBL326617 | Octanedioic acid (1-benzyl-2-oxo-2-...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1cccc1 Show InChI InChI=1S/C21H27N3O4/c25-19(12-6-1-2-7-13-20(26)23-28)22-18(16-17-10-4-3-5-11-17)21(27)24-14-8-9-15-24/h3-5,8-11,14-15,18,28H,1-2,6-7,12-13,16H2,(H,22,25)(H,23,26)/t18-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115658 ((7-Hydroxycarbamoyl-heptanoylamino)-thiophen-2-yl-...) Show SMILES COC(=O)[C@@H](NC(=O)CCCCCCC(=O)NO)c1cccs1 Show InChI InChI=1S/C15H22N2O5S/c1-22-15(20)14(11-7-6-10-23-11)16-12(18)8-4-2-3-5-9-13(19)17-21/h6-7,10,14,21H,2-5,8-9H2,1H3,(H,16,18)(H,17,19)/t14-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115663 (2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl-pro...) Show SMILES ONC(=O)CCCCCCC(=O)N[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C17H24N2O5/c20-15(10-6-1-2-7-11-16(21)19-24)18-14(17(22)23)12-13-8-4-3-5-9-13/h3-5,8-9,14,24H,1-2,6-7,10-12H2,(H,18,20)(H,19,21)(H,22,23)/t14-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115650 ((R)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl...) Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C18H26N2O5/c1-25-18(23)15(13-14-9-5-4-6-10-14)19-16(21)11-7-2-3-8-12-17(22)20-24/h4-6,9-10,15,24H,2-3,7-8,11-13H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115656 (2-(7-Hydroxycarbamoyl-heptanoylamino)-3-(4-nitro-p...) Show SMILES COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C18H25N3O7/c1-28-18(24)15(12-13-8-10-14(11-9-13)21(26)27)19-16(22)6-4-2-3-5-7-17(23)20-25/h8-11,15,25H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082658 (CHEMBL143849 | N-(5-Hydroxycarbamoyl-pentyl)-benza...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccccc1 Show InChI InChI=1S/C13H18N2O3/c16-12(15-18)9-5-2-6-10-14-13(17)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,17)(H,15,16)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant aromatase				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115660 (2-(7-Hydroxycarbamoyl-heptanoylamino)-3-methyl-but...) Show SMILES COC(=O)[C@@H](NC(=O)CCCCCCC(=O)NO)C(C)C Show InChI InChI=1S/C14H26N2O5/c1-10(2)13(14(19)21-3)15-11(17)8-6-4-5-7-9-12(18)16-20/h10,13,20H,4-9H2,1-3H3,(H,15,17)(H,16,18)/t13-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50115651 (CHEMBL326022 | Octanedioic acid ((S)-1-carbamoyl-2...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C17H25N3O4/c18-17(23)14(12-13-8-4-3-5-9-13)19-15(21)10-6-1-2-7-11-16(22)20-24/h3-5,8-9,14,24H,1-2,6-7,10-12H2,(H2,18,23)(H,19,21)(H,20,22)/t14-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation				J Med Chem 45: 3296-309 (2002) BindingDB Entry DOI: 10.7270/Q247497N
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50082662 (4-Dimethylamino-N-(4-hydroxycarbamoyl-butyl)-benza...) Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C14H21N3O3/c1-17(2)12-8-6-11(7-9-12)14(19)15-10-4-3-5-13(18)16-20/h6-9,20H,3-5,10H2,1-2H3,(H,15,19)(H,16,18)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description Inhibition of maize Histone deacetylase 2 (HD-2) activity				J Med Chem 42: 4669-79 (1999) BindingDB Entry DOI: 10.7270/Q2PC31M7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50005639 (2-(2-Methylpropanoyl)-1,3,5-benzenetriol | 2-Methy...) Show SMILES CC(C)C(=O)c1c(O)cc(O)cc1O Show InChI InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes Curated by ChEMBL					Assay Description Inhibition of sheep COX1 measured by oxygen consumption				J Nat Prod 68: 1545-8 (2005) Article DOI: 10.1021/np050164z BindingDB Entry DOI: 10.7270/Q2ZK5GD7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50269661 (1-(2-Methylpropanoyl)-phloroglucinol-glucopyranosi...) Show SMILES CC(C)C(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22O9/c1-6(2)12(20)11-8(19)3-7(18)4-9(11)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3/t10-,13-,14+,15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes Curated by ChEMBL					Assay Description Inhibition of sheep COX1 measured by oxygen consumption				J Nat Prod 68: 1545-8 (2005) Article DOI: 10.1021/np050164z BindingDB Entry DOI: 10.7270/Q2ZK5GD7
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50204912 ((1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-6-methoxy-3,4a...) Show SMILES COc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](C)[C@H](O)[C@@]3(C)Oc2c1 Show InChI InChI=1S/C16H20O6/c1-7-4-10(18)13-14(19)12-9(17)5-8(21-3)6-11(12)22-16(13,2)15(7)20/h5-7,10,13,15,17-18,20H,4H2,1-3H3/t7-,10-,13+,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant aromatase				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair
Quinone oxidoreductase (Mus musculus)	BDBM50204912 ((1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-6-methoxy-3,4a...) Show SMILES COc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](C)[C@H](O)[C@@]3(C)Oc2c1 Show InChI InChI=1S/C16H20O6/c1-7-4-10(18)13-14(19)12-9(17)5-8(21-3)6-11(12)22-16(13,2)15(7)20/h5-7,10,13,15,17-18,20H,4H2,1-3H3/t7-,10-,13+,15-,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair
Quinone oxidoreductase (Mus musculus)	BDBM50204915 ((1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-3,4a-dimethyl-...) Show SMILES C[C@H]1C[C@H](O)[C@@H]2C(=O)c3c(O)cccc3O[C@]2(C)[C@H]1O Show InChI InChI=1S/C15H18O5/c1-7-6-9(17)12-13(18)11-8(16)4-3-5-10(11)20-15(12,2)14(7)19/h3-5,7,9,12,14,16-17,19H,6H2,1-2H3/t7-,9-,12+,14-,15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair
Quinone oxidoreductase (Mus musculus)	BDBM50204913 (2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylbenzoic...) Show SMILES Cc1cc(O)c(C(=O)c2c(O)cccc2O)c(c1)C(O)=O Show InChI InChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair
Quinone oxidoreductase (Mus musculus)	BDBM50204916 (8-hydroxy-3-methyl-9-oxo-9H-xanthene-1-carboxylic ...) Show SMILES Cc1cc(C(O)=O)c2c(c1)oc1cccc(O)c1c2=O Show InChI InChI=1S/C15H10O5/c1-7-5-8(15(18)19)12-11(6-7)20-10-4-2-3-9(16)13(10)14(12)17/h2-6,16H,1H3,(H,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50269667 (5-(2-Methylpropanoyl)-phloroglucinol-glucopyranosi...) Show SMILES CC(C)C(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r| Show InChI InChI=1S/C16H22O9/c1-6(2)12(20)11-8(18)3-7(4-9(11)19)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3/t10-,13-,14+,15-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes Curated by ChEMBL					Assay Description Inhibition of sheep COX1 measured by oxygen consumption				J Nat Prod 68: 1545-8 (2005) Article DOI: 10.1021/np050164z BindingDB Entry DOI: 10.7270/Q2ZK5GD7
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50269662 (1-(2-methylbutyryl)-phloroglucinol-glucopyranoside...) Show SMILES CCC(C)C(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H24O9/c1-3-7(2)13(21)12-9(20)4-8(19)5-10(12)25-17-16(24)15(23)14(22)11(6-18)26-17/h4-5,7,11,14-20,22-24H,3,6H2,1-2H3/t7?,11-,14-,15+,16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes Curated by ChEMBL					Assay Description Inhibition of sheep COX1 measured by oxygen consumption				J Nat Prod 68: 1545-8 (2005) Article DOI: 10.1021/np050164z BindingDB Entry DOI: 10.7270/Q2ZK5GD7
					More data for this Ligand-Target Pair
Quinone oxidoreductase (Mus musculus)	BDBM50204914 ((1S,3S,4S,4a,9aS)-1,3,4,8-tetrahydroxy-4a,6-dimeth...) Show SMILES Cc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](O)[C@H](O)[C@@]3(C)Oc2c1 Show InChI InChI=1S/C15H18O6/c1-6-3-7(16)11-10(4-6)21-15(2)12(13(11)19)8(17)5-9(18)14(15)20/h3-4,8-9,12,14,16-18,20H,5H2,1-2H3/t8-,9-,12+,14-,15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair