Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'rehder' and Initial = 'k'   

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
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50016900 ((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...) Show SMILES CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM28582 (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...) Show SMILES COc1cc(CC(C)N)c(OC)cc1I Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to kappa opioid receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to delta opioid receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to dopamine uptake transporter				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to muscarinic M5 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to muscarinic M4 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to muscarinic M3 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to muscarinic M2 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to dopamine D5 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT1E receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT3 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT1B receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 5A (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT5A receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to serotonin uptake transporter				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to histamine H2 receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to 5HT1D receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50271706 (CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...) Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to alpha 1A adrenergic receptor				Bioorg Med Chem 16: 6116-23 (2008) Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				J Med Chem 50: 4471-81 (2007) Article DOI: 10.1021/jm070546x BindingDB Entry DOI: 10.7270/Q2XG9RZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				J Med Chem 50: 4471-81 (2007) Article DOI: 10.1021/jm070546x BindingDB Entry DOI: 10.7270/Q2XG9RZW
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				J Med Chem 50: 4471-81 (2007) Article DOI: 10.1021/jm070546x BindingDB Entry DOI: 10.7270/Q2XG9RZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				J Med Chem 50: 4471-81 (2007) Article DOI: 10.1021/jm070546x BindingDB Entry DOI: 10.7270/Q2XG9RZW
					More data for this Ligand-Target Pair
Peroxisomal acyl-coenzyme A oxidase 1 (Rattus norvegicus)	BDBM50156430 ((R)-1-{(S)-4-[5-(2,4-Dichloro-phenyl)-[1,2,4]oxadi...) Show SMILES C[C@H]1CN(Cc2noc(n2)-c2ccc(Cl)cc2Cl)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C25H27Cl2N5O3S/c1-15-11-31(13-24-29-25(35-30-24)20-5-3-17(26)9-21(20)27)7-8-32(15)12-18(33)14-34-19-4-6-23-22(10-19)28-16(2)36-23/h3-6,9-10,15,18,33H,7-8,11-14H2,1-2H3/t15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria				Bioorg Med Chem Lett 14: 6017-21 (2004) Article DOI: 10.1016/j.bmcl.2004.09.077 BindingDB Entry DOI: 10.7270/Q2ZS2W0R
					More data for this Ligand-Target Pair
Peroxisomal acyl-coenzyme A oxidase 1 (Rattus norvegicus)	BDBM50156430 ((R)-1-{(S)-4-[5-(2,4-Dichloro-phenyl)-[1,2,4]oxadi...) Show SMILES C[C@H]1CN(Cc2noc(n2)-c2ccc(Cl)cc2Cl)CCN1C[C@@H](O)COc1ccc2sc(C)nc2c1 Show InChI InChI=1S/C25H27Cl2N5O3S/c1-15-11-31(13-24-29-25(35-30-24)20-5-3-17(26)9-21(20)27)7-8-32(15)12-18(33)14-34-19-4-6-23-22(10-19)28-16(2)36-23/h3-6,9-10,15,18,33H,7-8,11-14H2,1-2H3/t15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria				Bioorg Med Chem Lett 14: 6017-21 (2004) Article DOI: 10.1016/j.bmcl.2004.09.077 BindingDB Entry DOI: 10.7270/Q2ZS2W0R
					More data for this Ligand-Target Pair

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