Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'yoneyama' and Initial = 'h'   

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)	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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50214615 (CHEBI:64177 | Clobenpropit) Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494136 (CHEMBL2441945) Show SMILES Cl.N=C(NCCCCc1ccc(cc1)C#N)SCCCN1CCCCC1 Show InChI InChI=1S/C20H30N4S/c21-17-19-10-8-18(9-11-19)7-2-3-12-23-20(22)25-16-6-15-24-13-4-1-5-14-24/h8-11H,1-7,12-16H2,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494137 (CHEMBL2441942) Show SMILES Cl.Clc1ccc(CCCCNC(=N)SCCCN2CCCCC2)cc1 Show InChI InChI=1S/C19H30ClN3S/c20-18-10-8-17(9-11-18)7-2-3-12-22-19(21)24-16-6-15-23-13-4-1-5-14-23/h8-11H,1-7,12-16H2,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494138 (CHEMBL2441946) Show SMILES Cl.N=C(NCCCCN1CCCCC1)SCCCN1CCCCC1 Show InChI InChI=1S/C18H36N4S/c19-18(23-17-9-16-22-13-6-2-7-14-22)20-10-3-8-15-21-11-4-1-5-12-21/h1-17H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494132 (CHEMBL2441941) Show SMILES Cl.Clc1ccc(CCCNC(=N)SCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H28ClN3S/c19-17-9-7-16(8-10-17)6-4-11-21-18(20)23-15-5-14-22-12-2-1-3-13-22/h7-10H,1-6,11-15H2,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494141 (CHEMBL2441940) Show SMILES Cl.Clc1ccc(CCNC(=N)SCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClN3S/c18-16-7-5-15(6-8-16)9-10-20-17(19)22-14-4-13-21-11-2-1-3-12-21/h5-8H,1-4,9-14H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494127 (CHEMBL2441944) Show SMILES Cl.FC(F)(F)c1ccc(CCCCNC(=N)SCCCN2CCCCC2)cc1 Show InChI InChI=1S/C20H30F3N3S/c21-20(22,23)18-10-8-17(9-11-18)7-2-3-12-25-19(24)27-16-6-15-26-13-4-1-5-14-26/h8-11H,1-7,12-16H2,(H2,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494135 (CHEMBL2441933) Show SMILES Cl.Clc1ccc(CNC(=N)SCCCN2CCCC2)cc1 Show InChI InChI=1S/C15H22ClN3S/c16-14-6-4-13(5-7-14)12-18-15(17)20-11-3-10-19-8-1-2-9-19/h4-7H,1-3,8-12H2,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494131 (CHEMBL2441943) Show SMILES Cl.N=C(NCCCCCc1ccccc1)SCCCN1CCCCC1 Show InChI InChI=1S/C20H33N3S/c21-20(24-18-10-17-23-15-8-3-9-16-23)22-14-7-2-6-13-19-11-4-1-5-12-19/h1,4-5,11-12H,2-3,6-10,13-18H2,(H2,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494139 (CHEMBL2441938) Show SMILES Cl.Clc1ccc(CCNC(=N)SCCCN2CCCC2)cc1 Show InChI InChI=1S/C16H24ClN3S/c17-15-6-4-14(5-7-15)8-9-19-16(18)21-13-3-12-20-10-1-2-11-20/h4-7H,1-3,8-13H2,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600535 (CHEMBL5172300) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494142 (CHEMBL2441935) Show SMILES Cl.Clc1ccc(CNC(=N)SCCCN2CCCCC2)cc1 Show InChI InChI=1S/C16H24ClN3S/c17-15-7-5-14(6-8-15)13-19-16(18)21-12-4-11-20-9-2-1-3-10-20/h5-8H,1-4,9-13H2,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600538 (CHEMBL5178654) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494129 (CHEMBL2441948) Show SMILES Cl.FC(F)(F)c1ccc(CCCCNC(=O)CCCN2CCCCC2)cc1 Show InChI InChI=1S/C20H29F3N2O/c21-20(22,23)18-11-9-17(10-12-18)7-2-3-13-24-19(26)8-6-16-25-14-4-1-5-15-25/h9-12H,1-8,13-16H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494130 (CHEMBL2441947) Show SMILES Cl.Clc1ccc(CCCCNC(=O)CCCN2CCCCC2)cc1 Show InChI InChI=1S/C19H29ClN2O/c20-18-11-9-17(10-12-18)7-2-3-13-21-19(23)8-6-16-22-14-4-1-5-15-22/h9-12H,1-8,13-16H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600539 (CHEMBL5181854) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600540 (CHEMBL5173400) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494128 (CHEMBL2441939) Show SMILES Cl.Clc1ccc(CCNC(=N)SCCCN2CCOCC2)cc1 Show InChI InChI=1S/C16H24ClN3OS/c17-15-4-2-14(3-5-15)6-7-19-16(18)22-13-1-8-20-9-11-21-12-10-20/h2-5H,1,6-13H2,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494126 (CHEMBL2441949) Show SMILES Cl.Clc1ccc(CCCCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C19H29ClN2O/c20-18-11-9-17(10-12-18)7-2-3-8-19(23)21-13-6-16-22-14-4-1-5-15-22/h9-12H,1-8,13-16H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600536 (CHEMBL5170185) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600532 (CHEMBL5201071) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					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
Pantetheinase (Homo sapiens (Human))	BDBM50600529 (CHEMBL5182223) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600530 (CHEMBL5188262) Show SMILES COc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600541 (CHEMBL5170521) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					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
Pantetheinase (Homo sapiens (Human))	BDBM50600531 (CHEMBL5205367) Show SMILES Cc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494134 (CHEMBL2441936) Show SMILES Cl.CN1CCN(CCCSC(=N)NCc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C16H25ClN4S/c1-20-8-10-21(11-9-20)7-2-12-22-16(18)19-13-14-3-5-15(17)6-4-14/h3-6H,2,7-13H2,1H3,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494140 (CHEMBL2441934) Show SMILES Cl.Clc1ccc(CNC(=N)SCCCN2CCOCC2)cc1 Show InChI InChI=1S/C15H22ClN3OS/c16-14-4-2-13(3-5-14)12-18-15(17)21-11-1-6-19-7-9-20-10-8-19/h2-5H,1,6-12H2,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600533 (CHEMBL5181591) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc2ccccc2c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50494133 (CHEMBL2441937) Show SMILES Cl.Clc1ccc(CNC(=N)SCCCN2CCNCC2)cc1 Show InChI InChI=1S/C15H23ClN4S/c16-14-4-2-13(3-5-14)12-19-15(17)21-11-1-8-20-9-6-18-7-10-20/h2-5,18H,1,6-12H2,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP ac...				Bioorg Med Chem Lett 23: 6415-20 (2013) Article DOI: 10.1016/j.bmcl.2013.09.052 BindingDB Entry DOI: 10.7270/Q2R78J5R
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600534 (CHEMBL5207940) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50600537 (CHEMBL5200225) Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1OC(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116791 BindingDB Entry DOI: 10.7270/Q28S4V0W
					More data for this Ligand-Target Pair