Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'sindelar' 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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186291 (2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-...) Show SMILES CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C20H32N2O/c1-17(2)22-13-9-18-7-8-20(15-19(18)16-22)23-14-6-12-21-10-4-3-5-11-21/h7-8,15,17H,3-6,9-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186270 (2-benzyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tet...) Show SMILES C(COc1ccc2CN(Cc3ccccc3)CCCc2c1)CN1CCCCC1 Show InChI InChI=1S/C25H34N2O/c1-3-9-22(10-4-1)20-27-16-7-11-23-19-25(13-12-24(23)21-27)28-18-8-17-26-14-5-2-6-15-26/h1,3-4,9-10,12-13,19H,2,5-8,11,14-18,20-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186278 (2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-...) Show SMILES CC(C)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C21H34N2O/c1-18(2)23-14-6-8-19-16-21(10-9-20(19)17-23)24-15-7-13-22-11-4-3-5-12-22/h9-10,16,18H,3-8,11-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186290 (3-ethyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetr...) Show SMILES CCN1CCc2ccc(OCCCN3CCCCC3)cc2CC1 Show InChI InChI=1S/C20H32N2O/c1-2-21-14-9-18-7-8-20(17-19(18)10-15-21)23-16-6-13-22-11-4-3-5-12-22/h7-8,17H,2-6,9-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.299	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186269 (2-ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetr...) Show SMILES CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186309 (2-ethyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetr...) Show SMILES CCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C20H32N2O/c1-2-21-13-6-8-18-16-20(10-9-19(18)17-21)23-15-7-14-22-11-4-3-5-12-22/h9-10,16H,2-8,11-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186292 (2-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)...) Show SMILES C(COc1ccc2CCN(CC3CCCCC3)Cc2c1)CN1CCCCC1 Show InChI InChI=1S/C24H38N2O/c1-3-8-21(9-4-1)19-26-16-12-22-10-11-24(18-23(22)20-26)27-17-7-15-25-13-5-2-6-14-25/h10-11,18,21H,1-9,12-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186292 (2-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)...) Show SMILES C(COc1ccc2CCN(CC3CCCCC3)Cc2c1)CN1CCCCC1 Show InChI InChI=1S/C24H38N2O/c1-3-8-21(9-4-1)19-26-16-12-22-10-11-24(18-23(22)20-26)27-17-7-15-25-13-5-2-6-14-25/h10-11,18,21H,1-9,12-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186306 (3-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)...) Show SMILES C(COc1ccc2CCN(CC3CCCCC3)CCc2c1)CN1CCCCC1 Show InChI InChI=1S/C25H40N2O/c1-3-8-22(9-4-1)21-27-17-12-23-10-11-25(20-24(23)13-18-27)28-19-7-16-26-14-5-2-6-15-26/h10-11,20,22H,1-9,12-19,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186316 (2-(phenylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES O=S(=O)(N1CCc2ccc(OCCCN3CCCCC3)cc2C1)c1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c26-29(27,23-8-3-1-4-9-23)25-16-12-20-10-11-22(18-21(20)19-25)28-17-7-15-24-13-5-2-6-14-24/h1,3-4,8-11,18H,2,5-7,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186283 (2-ethyl-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetr...) Show SMILES CCN1CCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C19H30N2O/c1-2-20-13-9-17-15-19(8-7-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110732 (CHEMBL3605927) Show SMILES COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;6.54,-3.95,;5,-3.96,;4.22,-2.63,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)| Show InChI InChI=1S/C26H27FN2O3S/c1-16(2)18-13-21-25(20-11-10-19(27)15-24(20)32-3)22(12-17-8-6-5-7-9-17)28-26(21)23(14-18)29-33(4,30)31/h5-11,13-16,28-29H,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186309 (2-ethyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetr...) Show SMILES CCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C20H32N2O/c1-2-21-13-6-8-18-16-20(10-9-19(18)17-21)23-15-7-14-22-11-4-3-5-12-22/h9-10,16H,2-8,11-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186293 (7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydrois...) Show SMILES C(COc1ccc2CCNCc2c1)CN1CCCCC1 Show InChI InChI=1S/C17H26N2O/c1-2-9-19(10-3-1)11-4-12-20-17-6-5-15-7-8-18-14-16(15)13-17/h5-6,13,18H,1-4,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186269 (2-ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetr...) Show SMILES CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186311 (3-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-...) Show SMILES CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 Show InChI InChI=1S/C21H34N2O/c1-18(2)23-14-9-19-7-8-21(17-20(19)10-15-23)24-16-6-13-22-11-4-3-5-12-22/h7-8,17-18H,3-6,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186270 (2-benzyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tet...) Show SMILES C(COc1ccc2CN(Cc3ccccc3)CCCc2c1)CN1CCCCC1 Show InChI InChI=1S/C25H34N2O/c1-3-9-22(10-4-1)20-27-16-7-11-23-19-25(13-12-24(23)21-27)28-18-8-17-26-14-5-2-6-15-26/h1,3-4,9-10,12-13,19H,2,5-8,11,14-18,20-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186291 (2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-...) Show SMILES CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C20H32N2O/c1-17(2)22-13-9-18-7-8-20(15-19(18)16-22)23-14-6-12-21-10-4-3-5-11-21/h7-8,15,17H,3-6,9-14,16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186306 (3-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)...) Show SMILES C(COc1ccc2CCN(CC3CCCCC3)CCc2c1)CN1CCCCC1 Show InChI InChI=1S/C25H40N2O/c1-3-8-22(9-4-1)21-27-17-12-23-10-11-25(20-24(23)13-18-27)28-19-7-16-26-14-5-2-6-15-26/h10-11,20,22H,1-9,12-19,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.998	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186296 (2-(cyclohexylmethyl)-6-(3-(piperidin-1-yl)propoxy)...) Show SMILES C(COc1ccc2CN(CC3CCCCC3)CCc2c1)CN1CCCCC1 Show InChI InChI=1S/C24H38N2O/c1-3-8-21(9-4-1)19-26-16-12-22-18-24(11-10-23(22)20-26)27-17-7-15-25-13-5-2-6-14-25/h10-11,18,21H,1-9,12-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186290 (3-ethyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetr...) Show SMILES CCN1CCc2ccc(OCCCN3CCCCC3)cc2CC1 Show InChI InChI=1S/C20H32N2O/c1-2-21-14-9-18-7-8-20(17-19(18)10-15-21)23-16-6-13-22-11-4-3-5-12-22/h7-8,17H,2-6,9-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110730 (CHEMBL3605919) Show SMILES COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)| Show InChI InChI=1S/C28H32FN3O3S/c1-18(2)20-13-23-27(22-12-11-21(29)15-26(22)35-4)25(17-32(3)16-19-9-7-6-8-10-19)30-28(23)24(14-20)31-36(5,33)34/h6-15,18,30-31H,16-17H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186278 (2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-...) Show SMILES CC(C)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C21H34N2O/c1-18(2)23-14-6-8-19-16-21(10-9-20(19)17-23)24-15-7-13-22-11-4-3-5-12-22/h9-10,16,18H,3-8,11-15,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110733 (CHEMBL3605929) Show SMILES COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C17H16F2N2O3S/c1-9-16(12-5-4-10(18)8-15(12)24-2)13-6-11(19)7-14(17(13)20-9)21-25(3,22)23/h4-8,20-21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50186311 (3-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-...) Show SMILES CC(C)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 Show InChI InChI=1S/C21H34N2O/c1-18(2)23-14-9-19-7-8-21(17-20(19)10-15-23)24-16-6-13-22-11-4-3-5-12-22/h7-8,17-18H,3-6,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50110735 (CHEMBL3605932) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186281 ((6-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoquino...) Show SMILES O=C(N1CCc2cc(OCCCN3CCCCC3)ccc2C1)c1cccs1 Show InChI InChI=1S/C22H28N2O2S/c25-22(21-6-4-15-27-21)24-13-9-18-16-20(8-7-19(18)17-24)26-14-5-12-23-10-2-1-3-11-23/h4,6-8,15-16H,1-3,5,9-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110731 (CHEMBL3605926) Show SMILES COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-4.78,.91,;-3.72,2.76,;-4.79,2.14,)| Show InChI InChI=1S/C29H34FN3O3S/c1-29(2,3)20-14-23-27(22-13-12-21(30)16-26(22)36-5)25(18-33(4)17-19-10-8-7-9-11-19)31-28(23)24(15-20)32-37(6,34)35/h7-16,31-32H,17-18H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186295 (2-(methylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-2...) Show SMILES CS(=O)(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C19H30N2O3S/c1-25(22,23)21-13-5-7-17-15-19(9-8-18(17)16-21)24-14-6-12-20-10-3-2-4-11-20/h8-9,15H,2-7,10-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110736 (CHEMBL3605933) Show SMILES COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12 Show InChI InChI=1S/C16H16N2O3S/c1-21-15-9-4-3-6-11(15)13-10-17-16-12(13)7-5-8-14(16)18-22(2,19)20/h3-10,17-18H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186285 (CHEMBL208829 | N-isopropyl-7-(3-(piperidin-1-yl)pr...) Show SMILES CC(C)NC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C21H33N3O2/c1-17(2)22-21(25)24-13-9-18-7-8-20(15-19(18)16-24)26-14-6-12-23-10-4-3-5-11-23/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110735 (CHEMBL3605932) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50110734 (CHEMBL3605930) Show SMILES COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12 Show InChI InChI=1S/C16H15ClN2O3S/c1-22-15-7-6-10(17)8-12(15)13-9-18-16-11(13)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competiti...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110735 (CHEMBL3605932) Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186286 (1-(phenylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES O=S(=O)(N1CCCc2ccc(OCCCN3CCCCC3)cc12)c1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c26-29(27,22-10-3-1-4-11-22)25-17-7-9-20-12-13-21(19-23(20)25)28-18-8-16-24-14-5-2-6-15-24/h1,3-4,10-13,19H,2,5-9,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186305 (2-(phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES O=S(=O)(N1CCc2cc(OCCCN3CCCCC3)ccc2C1)c1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c26-29(27,23-8-3-1-4-9-23)25-16-12-20-18-22(11-10-21(20)19-25)28-17-7-15-24-13-5-2-6-14-24/h1,3-4,8-11,18H,2,5-7,12-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186273 ((7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoquino...) Show SMILES O=C(N1CCc2ccc(OCCCN3CCCCC3)cc2C1)c1cccs1 Show InChI InChI=1S/C22H28N2O2S/c25-22(21-6-4-15-27-21)24-13-9-18-7-8-20(16-19(18)17-24)26-14-5-12-23-10-2-1-3-11-23/h4,6-8,15-16H,1-3,5,9-14,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186300 (1-(7-(3-(piperidin-1-yl)propoxy)-1,2,4,5-tetrahydr...) Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 Show InChI InChI=1S/C20H30N2O2/c1-17(23)22-13-8-18-6-7-20(16-19(18)9-14-22)24-15-5-12-21-10-3-2-4-11-21/h6-7,16H,2-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186275 (3-(methylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-2...) Show SMILES CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2CC1 Show InChI InChI=1S/C19H30N2O3S/c1-25(22,23)21-13-8-17-6-7-19(16-18(17)9-14-21)24-15-5-12-20-10-3-2-4-11-20/h6-7,16H,2-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186284 (2-(cyclohexylmethyl)-5-(3-(piperidin-1-yl)propoxy)...) Show SMILES C(COc1cccc2CN(CC3CCCCC3)CCc12)CN1CCCCC1 Show InChI InChI=1S/C24H38N2O/c1-3-9-21(10-4-1)19-26-17-13-23-22(20-26)11-7-12-24(23)27-18-8-16-25-14-5-2-6-15-25/h7,11-12,21H,1-6,8-10,13-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186297 (CHEMBL209099 | N-isopropyl-7-(3-(piperidin-1-yl)pr...) Show SMILES CC(C)NC(=O)N1CCCc2cc(OCCCN3CCCCC3)ccc2C1 Show InChI InChI=1S/C22H35N3O2/c1-18(2)23-22(26)25-14-6-8-19-16-21(10-9-20(19)17-25)27-15-7-13-24-11-4-3-5-12-24/h9-10,16,18H,3-8,11-15,17H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	17.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186289 (1-(phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES O=S(=O)(N1CCCc2cc(OCCCN3CCCCC3)ccc12)c1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c26-29(27,22-10-3-1-4-11-22)25-17-7-9-20-19-21(12-13-23(20)25)28-18-8-16-24-14-5-2-6-15-24/h1,3-4,10-13,19H,2,5-9,14-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186277 (1-(7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoqui...) Show SMILES CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C19H28N2O2/c1-16(22)21-12-8-17-6-7-19(14-18(17)15-21)23-13-5-11-20-9-3-2-4-10-20/h6-7,14H,2-5,8-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110733 (CHEMBL3605929) Show SMILES COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C17H16F2N2O3S/c1-9-16(12-5-4-10(18)8-15(12)24-2)13-6-11(19)7-14(17(13)20-9)21-25(3,22)23/h4-8,20-21H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50110743 (CHEMBL3605924) Show SMILES COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C18H19FN2O4S/c1-10-17(13-7-11(19)5-6-16(13)25-3)14-8-12(24-2)9-15(18(14)20-10)21-26(4,22)23/h5-9,20-21H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly Biotechnology Center Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition ...				J Med Chem 58: 6607-18 (2015) Article DOI: 10.1021/acs.jmedchem.5b00736 BindingDB Entry DOI: 10.7270/Q2ST7RMV
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186279 ((7-(3-(piperidin-1-yl)propoxy)-3,4-dihydroquinolin...) Show SMILES O=C(N1CCCc2ccc(OCCCN3CCCCC3)cc12)c1cccs1 Show InChI InChI=1S/C22H28N2O2S/c25-22(21-8-5-16-27-21)24-14-4-7-18-9-10-19(17-20(18)24)26-15-6-13-23-11-2-1-3-12-23/h5,8-10,16-17H,1-4,6-7,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50186288 (2-(methylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1...) Show SMILES CS(=O)(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 Show InChI InChI=1S/C18H28N2O3S/c1-24(21,22)20-12-8-16-6-7-18(14-17(16)15-20)23-13-5-11-19-9-3-2-4-10-19/h6-7,14H,2-5,8-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor				Bioorg Med Chem Lett 16: 3415-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.004 BindingDB Entry DOI: 10.7270/Q2WM1D07
					More data for this Ligand-Target Pair

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