Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Abscisic acid 8'-hydroxylase 3'   

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
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50184728 (5-((1S,2S,6S)-1,2-dihydroxy-6-methylcyclohexyl)pen...) Show SMILES C[C@H]1CCC[C@H](O)[C@@]1(O)\C=C\C=C/C(O)=O Show InChI InChI=1S/C12H18O4/c1-9-5-4-6-10(13)12(9,16)8-3-2-7-11(14)15/h2-3,7-10,13,16H,4-6H2,1H3,(H,14,15)/b7-2-,8-3+/t9-,10-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shizuoka University Curated by ChEMBL					Assay Description Inhibition of Arabidopsis recombinant CYP707A3				Bioorg Med Chem Lett 16: 3302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.024 BindingDB Entry DOI: 10.7270/Q2DZ07WJ
					More data for this Ligand-Target Pair
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50174072 ((+)-8',8'-difluoro-ABA | CHEMBL199709) Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)C[C@]1(C)C(F)F)=CC(O)=O |w:17.18,2.1,c:7| Show InChI InChI=1S/C15H18F2O4/c1-9(6-12(19)20)4-5-15(21)10(2)7-11(18)8-14(15,3)13(16)17/h4-7,13,21H,8H2,1-3H3,(H,19,20)/t14-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CYP707A3 in Arabidopsis				Bioorg Med Chem Lett 15: 5226-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.042 BindingDB Entry DOI: 10.7270/Q2D21X5T
					More data for this Ligand-Target Pair
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50174070 ((+)-(2Z,4E)-5-((1S,6S)-1-hydroxy-2,2,6-trimethylcy...) Show SMILES C[C@H]1CCCC(C)(C)[C@@]1(O)\C=C\C=C/C(O)=O Show InChI InChI=1S/C14H22O3/c1-11-7-6-9-13(2,3)14(11,17)10-5-4-8-12(15)16/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,16)/b8-4-,10-5+/t11-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CYP707A3 in Arabidopsis				Bioorg Med Chem Lett 15: 5226-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.042 BindingDB Entry DOI: 10.7270/Q2D21X5T
					More data for this Ligand-Target Pair
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50174069 ((1'S*,2'S*,6'S*)-(+/-)-6-nor-2',3'-dihydro-4'-deox...) Show SMILES C[C@H]1CCC[C@](C)(C(F)F)[C@@]1(O)\C=C\C=C/C(O)=O Show InChI InChI=1S/C14H20F2O3/c1-10-6-5-8-13(2,12(15)16)14(10,19)9-4-3-7-11(17)18/h3-4,7,9-10,12,19H,5-6,8H2,1-2H3,(H,17,18)/b7-3-,9-4+/t10-,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CYP707A3 in Arabidopsis				Bioorg Med Chem Lett 15: 5226-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.042 BindingDB Entry DOI: 10.7270/Q2D21X5T
					More data for this Ligand-Target Pair
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50174070 ((+)-(2Z,4E)-5-((1S,6S)-1-hydroxy-2,2,6-trimethylcy...) Show SMILES C[C@H]1CCCC(C)(C)[C@@]1(O)\C=C\C=C/C(O)=O Show InChI InChI=1S/C14H22O3/c1-11-7-6-9-13(2,3)14(11,17)10-5-4-8-12(15)16/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,16)/b8-4-,10-5+/t11-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shizuoka University Curated by ChEMBL					Assay Description Inhibition of Arabidopsis recombinant CYP707A3				Bioorg Med Chem Lett 16: 3302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.024 BindingDB Entry DOI: 10.7270/Q2DZ07WJ
					More data for this Ligand-Target Pair
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50174069 ((1'S*,2'S*,6'S*)-(+/-)-6-nor-2',3'-dihydro-4'-deox...) Show SMILES C[C@H]1CCC[C@](C)(C(F)F)[C@@]1(O)\C=C\C=C/C(O)=O Show InChI InChI=1S/C14H20F2O3/c1-10-6-5-8-13(2,12(15)16)14(10,19)9-4-3-7-11(17)18/h3-4,7,9-10,12,19H,5-6,8H2,1-2H3,(H,17,18)/b7-3-,9-4+/t10-,13+,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CYP707A3 in Arabidopsis				Bioorg Med Chem Lett 15: 5226-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.042 BindingDB Entry DOI: 10.7270/Q2D21X5T
					More data for this Ligand-Target Pair
Abscisic acid 8'-hydroxylase 3 (Arabidopsis thaliana)	BDBM50174070 ((+)-(2Z,4E)-5-((1S,6S)-1-hydroxy-2,2,6-trimethylcy...) Show SMILES C[C@H]1CCCC(C)(C)[C@@]1(O)\C=C\C=C/C(O)=O Show InChI InChI=1S/C14H22O3/c1-11-7-6-9-13(2,3)14(11,17)10-5-4-8-12(15)16/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,16)/b8-4-,10-5+/t11-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibitory activity against recombinant CYP707A3 in Arabidopsis				Bioorg Med Chem Lett 15: 5226-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.042 BindingDB Entry DOI: 10.7270/Q2D21X5T
					More data for this Ligand-Target Pair