Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'albanese' and Initial = 'm'   

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 (GUINEA PIG)	BDBM50325449 (1-(2-(piperidin-1-yl)ethyl)-3-(1-(1-(pyridin-4-ylm...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCN2CCCCC2)c1=O Show InChI InChI=1S/C31H42N6O2/c38-30(26-10-18-34(19-11-26)24-25-8-14-32-15-9-25)35-20-12-27(13-21-35)37-29-7-3-2-6-28(29)36(31(37)39)23-22-33-16-4-1-5-17-33/h2-3,6-9,14-15,26-27H,1,4-5,10-13,16-24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325450 (1-(2-(dimethylamino)ethyl)-3-(1-(1-(pyridin-4-ylme...) Show SMILES CN(C)CCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C28H38N6O2/c1-30(2)19-20-33-25-5-3-4-6-26(25)34(28(33)36)24-11-17-32(18-12-24)27(35)23-9-15-31(16-10-23)21-22-7-13-29-14-8-22/h3-8,13-14,23-24H,9-12,15-21H2,1-2H3	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325465 (1-benzyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(Cc2ccccc2)c1=O Show InChI InChI=1S/C31H35N5O2/c37-30(26-12-18-33(19-13-26)22-25-10-16-32-17-11-25)34-20-14-27(15-21-34)36-29-9-5-4-8-28(29)35(31(36)38)23-24-6-2-1-3-7-24/h1-11,16-17,26-27H,12-15,18-23H2	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325466 (1-(3-(dimethylamino)propyl)-3-(1-(1-(pyridin-4-ylm...) Show SMILES CN(C)CCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C29H40N6O2/c1-31(2)16-5-17-34-26-6-3-4-7-27(26)35(29(34)37)25-12-20-33(21-13-25)28(36)24-10-18-32(19-11-24)22-23-8-14-30-15-9-23/h3-4,6-9,14-15,24-25H,5,10-13,16-22H2,1-2H3	PDB UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325460 (1-(4-methoxybenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pi...) Show SMILES COc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1 Show InChI InChI=1S/C32H37N5O3/c1-40-28-8-6-24(7-9-28)23-36-29-4-2-3-5-30(29)37(32(36)39)27-14-20-35(21-15-27)31(38)26-12-18-34(19-13-26)22-25-10-16-33-17-11-25/h2-11,16-17,26-27H,12-15,18-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325461 (1-(3-methoxybenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pi...) Show SMILES COc1cccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)c1 Show InChI InChI=1S/C32H37N5O3/c1-40-28-6-4-5-25(21-28)23-36-29-7-2-3-8-30(29)37(32(36)39)27-13-19-35(20-14-27)31(38)26-11-17-34(18-12-26)22-24-9-15-33-16-10-24/h2-10,15-16,21,26-27H,11-14,17-20,22-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325473 (1-isobutyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-...) Show SMILES CC(C)Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C28H37N5O2/c1-21(2)19-32-25-5-3-4-6-26(25)33(28(32)35)24-11-17-31(18-12-24)27(34)23-9-15-30(16-10-23)20-22-7-13-29-14-8-22/h3-8,13-14,21,23-24H,9-12,15-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325448 (1-(2-morpholinoethyl)-3-(1-(1-(pyridin-4-ylmethyl)...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCN2CCOCC2)c1=O Show InChI InChI=1S/C30H40N6O3/c37-29(25-7-13-33(14-8-25)23-24-5-11-31-12-6-24)34-15-9-26(10-16-34)36-28-4-2-1-3-27(28)35(30(36)38)18-17-32-19-21-39-22-20-32/h1-6,11-12,25-26H,7-10,13-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325469 (1-(2-isopropoxyethyl)-3-(1-(1-(pyridin-4-ylmethyl)...) Show SMILES CC(C)OCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C29H39N5O3/c1-22(2)37-20-19-33-26-5-3-4-6-27(26)34(29(33)36)25-11-17-32(18-12-25)28(35)24-9-15-31(16-10-24)21-23-7-13-30-14-8-23/h3-8,13-14,22,24-25H,9-12,15-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325467 (1-(3-ethoxypropyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES CCOCCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C29H39N5O3/c1-2-37-21-5-16-33-26-6-3-4-7-27(26)34(29(33)36)25-12-19-32(20-13-25)28(35)24-10-17-31(18-11-24)22-23-8-14-30-15-9-23/h3-4,6-9,14-15,24-25H,2,5,10-13,16-22H2,1H3	PDB 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325462 (1-(4-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES Clc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1 Show InChI InChI=1S/C31H34ClN5O2/c32-26-7-5-23(6-8-26)22-36-28-3-1-2-4-29(28)37(31(36)39)27-13-19-35(20-14-27)30(38)25-11-17-34(18-12-25)21-24-9-15-33-16-10-24/h1-10,15-16,25,27H,11-14,17-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325472 (1-(2-hydroxyethyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES OCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C26H33N5O3/c32-18-17-30-23-3-1-2-4-24(23)31(26(30)34)22-9-15-29(16-10-22)25(33)21-7-13-28(14-8-21)19-20-5-11-27-12-6-20/h1-6,11-12,21-22,32H,7-10,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177543 (1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...) Show SMILES C(COc1cccc(CN2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C24H36N4O/c1-2-10-28(11-3-1)19-22-6-4-7-24(17-22)29-15-5-12-27-13-8-21(9-14-27)16-23-18-25-20-26-23/h4,6-7,17-18,20-21H,1-3,5,8-16,19H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108260 (1-(5-tert-Butyl-[1,2,4]oxadiazol-3-ylmethoxy)-3-(3...) Show SMILES CO\N=C(/COCc1noc(n1)C(C)(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H38Cl2N4O4/c1-29(2,3)28-33-27(35-40-28)20-39-19-26(34-38-4)23(21-10-11-24(31)25(32)18-21)12-15-36-16-13-30(37,14-17-36)22-8-6-5-7-9-22/h5-11,18,23,37H,12-17,19-20H2,1-4H3/b34-26+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108281 (CHEMBL32197 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2N3O3/c1-23-18-24(2)20-26(19-23)32(39)37(3)22-31(36-41-4)28(25-10-11-29(34)30(35)21-25)12-15-38-16-13-33(40,14-17-38)27-8-6-5-7-9-27/h5-11,18-21,28,40H,12-17,22H2,1-4H3/b36-31+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108271 (CHEMBL32124 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2N5O3/c1-23-19-25(21-31(36-23)38(2)3)32(41)39(4)22-30(37-43-5)27(24-11-12-28(34)29(35)20-24)13-16-40-17-14-33(42,15-18-40)26-9-7-6-8-10-26/h6-12,19-21,27,42H,13-18,22H2,1-5H3/b37-30+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325470 (1-(2-ethoxyethyl)-3-(1-(1-(pyridin-4-ylmethyl)pipe...) Show SMILES CCOCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C28H37N5O3/c1-2-36-20-19-32-25-5-3-4-6-26(25)33(28(32)35)24-11-17-31(18-12-24)27(34)23-9-15-30(16-10-23)21-22-7-13-29-14-8-22/h3-8,13-14,23-24H,2,9-12,15-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325463 (1-(3-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES Clc1cccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)c1 Show InChI InChI=1S/C31H34ClN5O2/c32-26-5-3-4-24(20-26)22-36-28-6-1-2-7-29(28)37(31(36)39)27-12-18-35(19-13-27)30(38)25-10-16-34(17-11-25)21-23-8-14-33-15-9-23/h1-9,14-15,20,25,27H,10-13,16-19,21-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325468 (1-(2-phenoxyethyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCOc2ccccc2)c1=O Show InChI InChI=1S/C32H37N5O3/c38-31(26-12-18-34(19-13-26)24-25-10-16-33-17-11-25)35-20-14-27(15-21-35)37-30-9-5-4-8-29(30)36(32(37)39)22-23-40-28-6-2-1-3-7-28/h1-11,16-17,26-27H,12-15,18-24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325471 (1-(2-methoxyethyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES COCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C27H35N5O3/c1-35-19-18-31-24-4-2-3-5-25(24)32(27(31)34)23-10-16-30(17-11-23)26(33)22-8-14-29(15-9-22)20-21-6-12-28-13-7-21/h2-7,12-13,22-23H,8-11,14-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325451 (1-(1-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C24H29N5O2/c30-23(19-7-13-27(14-8-19)17-18-5-11-25-12-6-18)28-15-9-20(10-16-28)29-22-4-2-1-3-21(22)26-24(29)31/h1-6,11-12,19-20H,7-10,13-17H2,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108238 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H33Cl4N3O3/c1-37(30(39)22-16-24(32)19-25(33)17-22)20-29(36-41-2)26(21-8-9-27(34)28(35)18-21)10-13-38-14-11-31(40,12-15-38)23-6-4-3-5-7-23/h3-9,16-19,26,40H,10-15,20H2,1-2H3/b36-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108240 (5-Methyl-thiophene-2-carboxylic acid {3-(3,4-dichl...) Show SMILES CO\N=C(/CN(C)C(=O)c1ccc(C)s1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H35Cl2N3O3S/c1-21-9-12-28(39-21)29(36)34(2)20-27(33-38-3)24(22-10-11-25(31)26(32)19-22)13-16-35-17-14-30(37,15-18-35)23-7-5-4-6-8-23/h4-12,19,24,37H,13-18,20H2,1-3H3/b33-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108271 (CHEMBL32124 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2N5O3/c1-23-19-25(21-31(36-23)38(2)3)32(41)39(4)22-30(37-43-5)27(24-11-12-28(34)29(35)20-24)13-16-40-17-14-33(42,15-18-40)26-9-7-6-8-10-26/h6-12,19-21,27,42H,13-18,22H2,1-5H3/b37-30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108256 (CHEMBL33243 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N1CCCC1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl2N5O3/c1-25-21-27(23-33(38-25)42-16-7-8-17-42)34(43)40(2)24-32(39-45-3)29(26-11-12-30(36)31(37)22-26)13-18-41-19-14-35(44,15-20-41)28-9-5-4-6-10-28/h4-6,9-12,21-23,29,44H,7-8,13-20,24H2,1-3H3/b39-32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108272 (CHEMBL33249 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H31Cl2F6N3O3/c1-46-42-28(19-41-29(44)21-15-23(31(35,36)37)18-24(16-21)32(38,39)40)25(20-7-8-26(33)27(34)17-20)9-12-43-13-10-30(45,11-14-43)22-5-3-2-4-6-22/h2-8,15-18,25,45H,9-14,19H2,1H3,(H,41,44)/b42-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108281 (CHEMBL32197 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2N3O3/c1-23-18-24(2)20-26(19-23)32(39)37(3)22-31(36-41-4)28(25-10-11-29(34)30(35)21-25)12-15-38-16-13-33(40,14-17-38)27-8-6-5-7-9-27/h5-11,18-21,28,40H,12-17,22H2,1-4H3/b36-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108267 (CHEMBL32537 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(OC)cc(OC)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2N3O5/c1-37(32(39)24-18-26(41-2)21-27(19-24)42-3)22-31(36-43-4)28(23-10-11-29(34)30(35)20-23)12-15-38-16-13-33(40,14-17-38)25-8-6-5-7-9-25/h5-11,18-21,28,40H,12-17,22H2,1-4H3/b36-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108272 (CHEMBL33249 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H31Cl2F6N3O3/c1-46-42-28(19-41-29(44)21-15-23(31(35,36)37)18-24(16-21)32(38,39)40)25(20-7-8-26(33)27(34)17-20)9-12-43-13-10-30(45,11-14-43)22-5-3-2-4-6-22/h2-8,15-18,25,45H,9-14,19H2,1H3,(H,41,44)/b42-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108242 (CHEMBL286646 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hyd...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)-c1cccs1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H38Cl2N4O3S/c1-24-20-26(22-31(38-24)33-10-7-19-45-33)34(42)40(2)23-32(39-44-3)28(25-11-12-29(36)30(37)21-25)13-16-41-17-14-35(43,15-18-41)27-8-5-4-6-9-27/h4-12,19-22,28,43H,13-18,23H2,1-3H3/b39-32+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177538 (1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...) Show SMILES C(COc1ccc(CN2CCC(CC2)N2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C29H45N5O/c1-2-14-34(15-3-1)28-11-18-33(19-12-28)23-26-5-7-29(8-6-26)35-20-4-13-32-16-9-25(10-17-32)21-27-22-30-24-31-27/h5-8,22,24-25,28H,1-4,9-21,23H2,(H,30,31)	PDB UniProtKB/SwissProt 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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177536 (1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177530 (4-((1H-imidazol-4-yl)methyl)-1-(3-(3-(cyclohexylox...) Show SMILES C(COc1cccc(OC2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C24H35N3O2/c1-2-6-22(7-3-1)29-24-9-4-8-23(17-24)28-15-5-12-27-13-10-20(11-14-27)16-21-18-25-19-26-21/h4,8-9,17-20,22H,1-3,5-7,10-16H2,(H,25,26)	PDB UniProtKB/SwissProt 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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108265 (CHEMBL36462 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(OC)c(OC)c(OC)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H41Cl2N3O6/c1-38(33(40)24-20-30(42-2)32(44-4)31(21-24)43-3)22-29(37-45-5)26(23-11-12-27(35)28(36)19-23)13-16-39-17-14-34(41,15-18-39)25-9-7-6-8-10-25/h6-12,19-21,26,41H,13-18,22H2,1-5H3/b37-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50112009 (1-(2,6-Dichloro-pyridin-4-yl)-3-[4-(1H-imidazol-4-...) Show SMILES Clc1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(Cl)n1 Show InChI InChI=1S/C17H15Cl2N5O/c18-15-6-13(7-16(19)24-15)23-17(25)21-8-12-3-1-11(2-4-12)5-14-9-20-10-22-14/h1-4,6-7,9-10H,5,8H2,(H,20,22)(H2,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108256 (CHEMBL33243 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N1CCCC1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl2N5O3/c1-25-21-27(23-33(38-25)42-16-7-8-17-42)34(43)40(2)24-32(39-45-3)29(26-11-12-30(36)31(37)22-26)13-18-41-19-14-35(44,15-20-41)28-9-5-4-6-10-28/h4-6,9-12,21-23,29,44H,7-8,13-20,24H2,1-3H3/b39-32+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177531 (1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...) Show SMILES C(COc1ccc(CCN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C25H38N4O/c1-2-12-28(13-3-1)15-9-22-5-7-25(8-6-22)30-18-4-14-29-16-10-23(11-17-29)19-24-20-26-21-27-24/h5-8,20-21,23H,1-4,9-19H2,(H,26,27)	PDB UniProtKB/SwissProt 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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177535 (CHEMBL379445 | N-(4-(3-(4-((1H-imidazol-4-yl)methy...) Show SMILES CCN(CC)Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1 Show InChI InChI=1S/C23H36N4O/c1-3-26(4-2)18-21-6-8-23(9-7-21)28-15-5-12-27-13-10-20(11-14-27)16-22-17-24-19-25-22/h6-9,17,19-20H,3-5,10-16,18H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175839 (4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)pi...) Show SMILES C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C18H25N3O/c1-2-5-18(6-3-1)22-12-4-9-21-10-7-16(8-11-21)13-17-14-19-15-20-17/h1-3,5-6,14-16H,4,7-13H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177551 (4-((1H-imidazol-4-yl)methyl)-N-(thiazol-2-yl)piper...) Show SMILES O=C(Nc1nccs1)N1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C13H17N5OS/c19-13(17-12-15-3-6-20-12)18-4-1-10(2-5-18)7-11-8-14-9-16-11/h3,6,8-10H,1-2,4-5,7H2,(H,14,16)(H,15,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177542 (1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...) Show SMILES FC1(F)CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1 Show InChI InChI=1S/C24H34F2N4O/c25-24(26)8-13-30(14-9-24)18-21-2-4-23(5-3-21)31-15-1-10-29-11-6-20(7-12-29)16-22-17-27-19-28-22/h2-5,17,19-20H,1,6-16,18H2,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108248 (1-(4-tert-Butyl-benzyloxy)-3-(3,4-dichloro-phenyl)...) Show SMILES CO\N=C(/COCc1ccc(cc1)C(C)(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2N2O3/c1-33(2,3)27-13-10-25(11-14-27)23-41-24-32(37-40-4)29(26-12-15-30(35)31(36)22-26)16-19-38-20-17-34(39,18-21-38)28-8-6-5-7-9-28/h5-15,22,29,39H,16-21,23-24H2,1-4H3/b37-32+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108251 (CHEMBL32309 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H33Cl2F6N3O3/c1-43(30(45)22-16-24(32(36,37)38)19-25(17-22)33(39,40)41)20-29(42-47-2)26(21-8-9-27(34)28(35)18-21)10-13-44-14-11-31(46,12-15-44)23-6-4-3-5-7-23/h3-9,16-19,26,46H,10-15,20H2,1-2H3/b42-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM86188 (CHEMBL366977 | SCH 79687) Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1 Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane				Bioorg Med Chem Lett 12: 937-41 (2002) BindingDB Entry DOI: 10.7270/Q2W37VN7
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108238 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H33Cl4N3O3/c1-37(30(39)22-16-24(32)19-25(33)17-22)20-29(36-41-2)26(21-8-9-27(34)28(35)18-21)10-13-38-14-11-31(40,12-15-38)23-6-4-3-5-7-23/h3-9,16-19,26,40H,10-15,20H2,1-2H3/b36-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108245 (5-Bromo-N-{3-(3,4-dichloro-phenyl)-5-(4-hydroxy-4-...) Show SMILES CO\N=C(/CN(C)C(=O)c1cncc(Br)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H33BrCl2N4O3/c1-36(29(38)22-16-24(31)19-34-18-22)20-28(35-40-2)25(21-8-9-26(32)27(33)17-21)10-13-37-14-11-30(39,12-15-37)23-6-4-3-5-7-23/h3-9,16-19,25,39H,10-15,20H2,1-2H3/b35-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108237 (CHEMBL418224 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hyd...) Show SMILES CO\N=C(/CN(C)C(=O)c1ccccc1OC)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H37Cl2N3O4/c1-36(31(38)26-11-7-8-12-30(26)40-2)22-29(35-41-3)25(23-13-14-27(33)28(34)21-23)15-18-37-19-16-32(39,17-20-37)24-9-5-4-6-10-24/h4-14,21,25,39H,15-20,22H2,1-3H3/b35-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325474 (1-methyl-3-(1-(1-(pyridin-4-ylmethyl)piperidine-4-...) Show SMILES Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C25H31N5O2/c1-27-22-4-2-3-5-23(22)30(25(27)32)21-10-16-29(17-11-21)24(31)20-8-14-28(15-9-20)18-19-6-12-26-13-7-19/h2-7,12-13,20-21H,8-11,14-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50325464 (1-(2-chlorobenzyl)-3-(1-(1-(pyridin-4-ylmethyl)pip...) Show SMILES Clc1ccccc1Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O Show InChI InChI=1S/C31H34ClN5O2/c32-27-6-2-1-5-25(27)22-36-28-7-3-4-8-29(28)37(31(36)39)26-13-19-35(20-14-26)30(38)24-11-17-34(18-12-24)21-23-9-15-33-16-10-23/h1-10,15-16,24,26H,11-14,17-22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 20: 5004-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.052 BindingDB Entry DOI: 10.7270/Q2N016QS
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50177544 (1-(4-(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...) Show SMILES C(CN1CCC(Cc2cnc[nH]2)CC1)Oc1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C23H34N4O/c1-2-10-27(11-3-1)18-21-4-6-23(7-5-21)28-15-14-26-12-8-20(9-13-26)16-22-17-24-19-25-22/h4-7,17,19-20H,1-3,8-16,18H2,(H,24,25)	PDB UniProtKB/SwissProt 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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor				Bioorg Med Chem Lett 16: 989-94 (2006) Article DOI: 10.1016/j.bmcl.2005.10.087 BindingDB Entry DOI: 10.7270/Q2SJ1K5X
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 310 total )  |  Next  |  Last  >>

Jump to: