Compile Data Set for Download or QSAR

Found 441 hits with Last Name = 'solvibile' and Initial = 'wr'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309834 ((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...) Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r| Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309848 ((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309847 ((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309845 ((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309837 (1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309851 ((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-indol-1-yl)meth...) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2ccc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H27N3O/c28-24(27-16-12-22(18-27)25-13-3-4-14-25)21-9-7-19(8-10-21)17-26-15-11-20-5-1-2-6-23(20)26/h1-2,5-11,15,22H,3-4,12-14,16-18H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309843 ((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-methyl-1H...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50309834 ((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...) Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r| Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity to rat histamine H3 receptor				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309844 (1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazol-1-...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309846 ((R)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...) Show SMILES O=C(N1CC[C@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309839 ((S)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309836 ((3-(ethyl(methyl)amino)pyrrolidin-1-yl)(4-((2-phen...) Show SMILES CCN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309835 ((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-phenyl-1H...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309853 ((S)-1,3'-bipyrrolidin-1'-yl(4-((5-chloro-1H-indol-...) Show SMILES Clc1ccc2n(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)ccc2c1 |r| Show InChI InChI=1S/C24H26ClN3O/c25-21-7-8-23-20(15-21)9-13-27(23)16-18-3-5-19(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309852 ((S)-1,3'-bipyrrolidin-1'-yl(4-((6-chloro-1H-indol-...) Show SMILES Clc1ccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c2c1 |r| Show InChI InChI=1S/C24H26ClN3O/c25-21-8-7-19-9-13-27(23(19)15-21)16-18-3-5-20(6-4-18)24(29)28-14-10-22(17-28)26-11-1-2-12-26/h3-9,13,15,22H,1-2,10-12,14,16-17H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309841 ((3-(dimethylamino)pyrrolidin-1-yl)(4-((2-(pyridin-...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccn2)cc1 Show InChI InChI=1S/C26H27N5O/c1-29(2)21-14-16-30(18-21)26(32)20-12-10-19(11-13-20)17-31-24-9-4-3-7-22(24)28-25(31)23-8-5-6-15-27-23/h3-13,15,21H,14,16-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119195 (CHEMBL317003 | {1-[4-(4-{[(R)-2-Hydroxy-2-(4-hydro...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C31H36N4O8S2/c1-44(40,41)33-27-16-22(6-11-29(27)36)30(37)19-32-18-21-12-14-34(15-13-21)45(42,43)25-9-7-24(8-10-25)35-20-23(17-31(38)39)26-4-2-3-5-28(26)35/h2-11,16,20-21,30,32-33,36-37H,12-15,17-19H2,1H3,(H,38,39)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-1 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309842 ((4-((1H-benzo[d]imidazol-1-yl)methyl)phenyl)(3-(di...) Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1 Show InChI InChI=1S/C21H24N4O/c1-23(2)18-11-12-24(14-18)21(26)17-9-7-16(8-10-17)13-25-15-22-19-5-3-4-6-20(19)25/h3-10,15,18H,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309849 (1,3'-bipyrrolidin-1'-yl(3-((1H-benzo[d]imidazol-1-...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C23H26N4O/c28-23(26-13-10-20(16-26)25-11-3-4-12-25)19-7-5-6-18(14-19)15-27-17-24-21-8-1-2-9-22(21)27/h1-2,5-9,14,17,20H,3-4,10-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309840 ((R)-(3-(dimethylamino)pyrrolidin-1-yl)(4-((2-pheny...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H28N4O/c1-29(2)23-16-17-30(19-23)27(32)22-14-12-20(13-15-22)18-31-25-11-7-6-10-24(25)28-26(31)21-8-4-3-5-9-21/h3-15,23H,16-19H2,1-2H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309838 ((3-((2-hydroxyethyl)(methyl)amino)pyrrolidin-1-yl)...) Show SMILES CN(CCO)C1CCN(C1)C(=O)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H30N4O2/c1-30(17-18-33)24-15-16-31(20-24)28(34)23-13-11-21(12-14-23)19-32-26-10-6-5-9-25(26)29-27(32)22-7-3-2-4-8-22/h2-14,24,33H,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309850 (1,3'-bipyrrolidin-1'-yl(2-((1H-benzo[d]imidazol-1-...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccccc1Cn1cnc2ccccc12 Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-19(16-26)25-12-5-6-13-25)20-8-2-1-7-18(20)15-27-17-24-21-9-3-4-10-22(21)27/h1-4,7-10,17,19H,5-6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119202 (CHEMBL99599 | Nonanoic acid [4-(4-{[2-hydroxy-2-(4...) Show SMILES CCCCCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C30H46N4O7S2/c1-3-4-5-6-7-8-9-30(37)32-25-11-13-26(14-12-25)43(40,41)34-18-16-23(17-19-34)21-31-22-29(36)24-10-15-28(35)27(20-24)33-42(2,38)39/h10-15,20,23,29,31,33,35-36H,3-9,16-19,21-22H2,1-2H3,(H,32,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Binding affinity of compound against Beta-1 adrenergic receptor was determined				Bioorg Med Chem Lett 12: 2963-7 (2002) BindingDB Entry DOI: 10.7270/Q2D21WZQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157485 (4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl...) Show SMILES CC(C)n1nc(-c2ccc(O)cc2)c2cccc(c12)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O/c1-10(2)22-16-13(4-3-5-14(16)17(18,19)20)15(21-22)11-6-8-12(23)9-7-11/h3-10,23H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1 Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor				Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157496 (4-[1-(2,5-dichlorophenyl)-6-hydroxy-1H-indazol-3-y...) Show SMILES Oc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c3cc(O)ccc23)c(O)c1 Show InChI InChI=1S/C19H12Cl2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157488 (4-(7-chloro-1-cyclopentyl-1H-indazol-3-yl)phenol |...) Show SMILES Oc1ccc(cc1)-c1nn(C2CCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C18H17ClN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157483 (4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenol |...) Show SMILES Oc1ccc(cc1)-c1nn(C2CCCC2)c2c(F)cccc12 Show InChI InChI=1S/C18H17FN2O/c19-16-7-3-6-15-17(12-8-10-14(22)11-9-12)20-21(18(15)16)13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157501 (4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl...) Show SMILES CC(C)n1nc(-c2ccc(O)cc2C)c2cccc(c12)C(F)(F)F Show InChI InChI=1S/C18H17F3N2O/c1-10(2)23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)9-11(13)3/h4-10,24H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157498 (4-(1-butyl-7-chloro-1H-indazol-3-yl)phenol | CHEMB...) Show SMILES CCCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12 Show InChI InChI=1S/C17H17ClN2O/c1-2-3-11-20-17-14(5-4-6-15(17)18)16(19-20)12-7-9-13(21)10-8-12/h4-10,21H,2-3,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50119183 (1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...) Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1 Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor				Bioorg Med Chem Lett 12: 2957-61 (2002) BindingDB Entry DOI: 10.7270/Q2HT2NP4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157491 (4-[1-(2,5-difluorophenyl)-6-hydroxy-1H-indazol-3-y...) Show SMILES Oc1ccc(-c2nn(-c3cc(F)ccc3F)c3cc(O)ccc23)c(O)c1 Show InChI InChI=1S/C19H12F2N2O3/c20-10-1-6-15(21)17(7-10)23-16-8-11(24)2-4-13(16)19(22-23)14-5-3-12(25)9-18(14)26/h1-9,24-26H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157504 (4-(7-chloro-1-cyclohexyl-1H-indazol-3-yl)phenol | ...) Show SMILES Oc1ccc(cc1)-c1nn(C2CCCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H19ClN2O/c20-17-8-4-7-16-18(13-9-11-15(23)12-10-13)21-22(19(16)17)14-5-2-1-3-6-14/h4,7-12,14,23H,1-3,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157489 (4-[1-(3-fluorophenyl)-6-hydroxy-1H-indazol-3-yl]be...) Show SMILES Oc1ccc(-c2nn(-c3cccc(F)c3)c3cc(O)ccc23)c(O)c1 Show InChI InChI=1S/C19H13FN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157503 (4-(7-methyl-1-propyl-1H-indazol-3-yl)phenol | CHEM...) Show SMILES CCCn1nc(-c2ccc(O)cc2)c2cccc(C)c12 Show InChI InChI=1S/C17H18N2O/c1-3-11-19-17-12(2)5-4-6-15(17)16(18-19)13-7-9-14(20)10-8-13/h4-10,20H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157500 (4-[6-hydroxy-1-(4-methylphenyl)-1H-indazol-3-yl]be...) Show SMILES Cc1ccc(cc1)-n1nc(-c2ccc(O)cc2O)c2ccc(O)cc12 Show InChI InChI=1S/C20H16N2O3/c1-12-2-4-13(5-3-12)22-18-10-14(23)6-8-16(18)20(21-22)17-9-7-15(24)11-19(17)25/h2-11,23-25H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157486 (4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL | CH...) Show SMILES Oc1ccc(-c2n[nH]c3cc(O)ccc23)c(O)c1 Show InChI InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50157508 (4-[1-(3-chlorophenyl)-6-hydroxy-1H-indazol-3-yl]be...) Show SMILES Oc1ccc(-c2nn(-c3cccc(Cl)c3)c3cc(O)ccc23)c(O)c1 Show InChI InChI=1S/C19H13ClN2O3/c20-11-2-1-3-12(8-11)22-17-9-13(23)4-6-15(17)19(21-22)16-7-5-14(24)10-18(16)25/h1-10,23-25H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157502 (4-(7-chloro-1-propyl-1H-indazol-3-yl)phenol | CHEM...) Show SMILES CCCn1nc(-c2ccc(O)cc2)c2cccc(Cl)c12 Show InChI InChI=1S/C16H15ClN2O/c1-2-10-19-16-13(4-3-5-14(16)17)15(18-19)11-6-8-12(20)9-7-11/h3-9,20H,2,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157507 (4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-...) Show SMILES Cc1cc(O)ccc1-c1nn(CC=C)c2c(cccc12)C(F)(F)F Show InChI InChI=1S/C18H15F3N2O/c1-3-9-23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)10-11(13)2/h3-8,10,24H,1,9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157487 (4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-...) Show SMILES CCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc12 Show InChI InChI=1S/C16H16N2O3/c1-2-7-18-14-8-10(19)3-5-12(14)16(17-18)13-6-4-11(20)9-15(13)21/h3-6,8-9,19-21H,2,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157493 (4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]ben...) Show SMILES Oc1ccc(-c2nn(CC=C)c3c(cccc23)C(F)(F)F)c(O)c1 Show InChI InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50157505 (4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)-1H-indaz...) Show SMILES OCCn1nc(-c2ccc(O)cc2)c2cccc(c12)C(F)(F)F Show InChI InChI=1S/C16H13F3N2O2/c17-16(18,19)13-3-1-2-12-14(10-4-6-11(23)7-5-10)20-21(8-9-22)15(12)13/h1-7,22-23H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157484 (4-(1-benzyl-7-chloro-1H-indazol-3-yl)phenol | CHEM...) Show SMILES Oc1ccc(cc1)-c1nn(Cc2ccccc2)c2c(Cl)cccc12 Show InChI InChI=1S/C20H15ClN2O/c21-18-8-4-7-17-19(15-9-11-16(24)12-10-15)22-23(20(17)18)13-14-5-2-1-3-6-14/h1-12,24H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50157493 (4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]ben...) Show SMILES Oc1ccc(-c2nn(CC=C)c3c(cccc23)C(F)(F)F)c(O)c1 Show InChI InChI=1S/C17H13F3N2O2/c1-2-8-22-16-12(4-3-5-13(16)17(18,19)20)15(21-22)11-7-6-10(23)9-14(11)24/h2-7,9,23-24H,1,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]E2 from ERbeta ligand binding domain				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50157494 (4-(1-butyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-d...) Show SMILES CCCCn1nc(-c2ccc(O)cc2O)c2ccc(O)cc12 Show InChI InChI=1S/C17H18N2O3/c1-2-3-8-19-15-9-11(20)4-6-13(15)17(18-19)14-7-5-12(21)10-16(14)22/h4-7,9-10,20-22H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NFkappaB transcription				J Med Chem 47: 6435-8 (2004) Article DOI: 10.1021/jm049194+ BindingDB Entry DOI: 10.7270/Q2639P7B
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50220305 (4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino...) Show SMILES OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ccccc1Cl Show InChI InChI=1S/C27H29ClN4O3S/c28-23-5-2-1-4-20(23)22-16-36-25(21(22)14-24(34)32-27(29)30-12-3-13-33)18-8-10-19(11-9-18)26(35)31-15-17-6-7-17/h1-2,4-5,8-11,16-17,33H,3,6-7,12-15H2,(H,31,35)(H3,29,30,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 17: 5353-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.010 BindingDB Entry DOI: 10.7270/Q2WQ03GF
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50220314 (CHEMBL237063 | N-(amino(3-hydroxypropylamino)methy...) Show SMILES CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl Show InChI InChI=1S/C25H28ClN3O3S/c1-2-14-32-18-10-8-17(9-11-18)24-20(15-23(31)29-25(27)28-12-5-13-30)21(16-33-24)19-6-3-4-7-22(19)26/h3-4,6-11,16,30H,2,5,12-15H2,1H3,(H3,27,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 17: 5353-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.010 BindingDB Entry DOI: 10.7270/Q2WQ03GF
					More data for this Ligand-Target Pair

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