Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50032175   

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)	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)	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
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)	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)	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)	BDBM50325481 ((4-benzylpiperidin-1-yl)(1-(pyridin-4-ylmethyl)pip...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O/c28-24(23-10-14-26(15-11-23)19-22-6-12-25-13-7-22)27-16-8-21(9-17-27)18-20-4-2-1-3-5-20/h1-7,12-13,21,23H,8-11,14-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	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)	BDBM50325486 ((4-(3-chlorobenzyl)piperazin-1-yl)(1-(pyridin-4-yl...) Show SMILES Clc1cccc(CN2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1 Show InChI InChI=1S/C23H29ClN4O/c24-22-3-1-2-20(16-22)18-27-12-14-28(15-13-27)23(29)21-6-10-26(11-7-21)17-19-4-8-25-9-5-19/h1-5,8-9,16,21H,6-7,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	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)	BDBM50325483 ((4-cyclohexylpiperazin-1-yl)(1-(pyridin-4-ylmethyl...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C22H34N4O/c27-22(26-16-14-25(15-17-26)21-4-2-1-3-5-21)20-8-12-24(13-9-20)18-19-6-10-23-11-7-19/h6-7,10-11,20-21H,1-5,8-9,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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)	BDBM50325479 ((4-benzoylpiperidin-1-yl)(1-(pyridin-4-ylmethyl)pi...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H29N3O2/c28-23(20-4-2-1-3-5-20)21-10-16-27(17-11-21)24(29)22-8-14-26(15-9-22)18-19-6-12-25-13-7-19/h1-7,12-13,21-22H,8-11,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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)	BDBM50325475 (1-(1-(4-(pyridin-4-ylmethyl)piperazine-1-carbonyl)...) Show SMILES O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C23H28N6O2/c30-22-25-20-3-1-2-4-21(20)29(22)19-7-11-27(12-8-19)23(31)28-15-13-26(14-16-28)17-18-5-9-24-10-6-18/h1-6,9-10,19H,7-8,11-17H2,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	17	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)	BDBM50325455 (1-(1-(1-(1-(pyridin-4-yl)ethyl)piperidine-4-carbon...) Show SMILES CC(N1CCC(CC1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccncc1 Show InChI InChI=1S/C25H31N5O2/c1-18(19-6-12-26-13-7-19)28-14-8-20(9-15-28)24(31)29-16-10-21(11-17-29)30-23-5-3-2-4-22(23)27-25(30)32/h2-7,12-13,18,20-21H,8-11,14-17H2,1H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	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)	BDBM50325478 (1-phenyl-8-(1-(pyridin-4-ylmethyl)piperidine-4-car...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C25H31N5O2/c31-23(21-8-14-28(15-9-21)18-20-6-12-26-13-7-20)29-16-10-25(11-17-29)24(32)27-19-30(25)22-4-2-1-3-5-22/h1-7,12-13,21H,8-11,14-19H2,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	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)	BDBM50325477 (1-(1-((1-(pyridin-4-ylmethyl)piperidin-4-yl)methyl...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC2CCN(Cc3ccncc3)CC2)CC1 Show InChI InChI=1S/C24H31N5O/c30-24-26-22-3-1-2-4-23(22)29(24)21-9-15-28(16-10-21)18-20-7-13-27(14-8-20)17-19-5-11-25-12-6-19/h1-6,11-12,20-21H,7-10,13-18H2,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	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)	BDBM50325488 (CHEMBL1223219 | N-phenethyl-3-((4-(1-(pyridin-4-yl...) Show SMILES O=C(NCCc1ccccc1)c1cccc(CN2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1 Show InChI InChI=1S/C32H39N5O2/c38-31(34-16-11-26-5-2-1-3-6-26)30-8-4-7-28(23-30)25-36-19-21-37(22-20-36)32(39)29-12-17-35(18-13-29)24-27-9-14-33-15-10-27/h1-10,14-15,23,29H,11-13,16-22,24-25H2,(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	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)	BDBM50325485 ((4-benzylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)pip...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H30N4O/c28-23(22-8-12-25(13-9-22)19-21-6-10-24-11-7-21)27-16-14-26(15-17-27)18-20-4-2-1-3-5-20/h1-7,10-11,22H,8-9,12-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
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)	BDBM50325480 ((4-benzyl-4-hydroxypiperidin-1-yl)(1-(pyridin-4-yl...) Show SMILES OC1(Cc2ccccc2)CCN(CC1)C(=O)C1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C24H31N3O2/c28-23(22-8-14-26(15-9-22)19-21-6-12-25-13-7-21)27-16-10-24(29,11-17-27)18-20-4-2-1-3-5-20/h1-7,12-13,22,29H,8-11,14-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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)	BDBM50325484 ((4-phenylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)pip...) Show SMILES O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C22H28N4O/c27-22(26-16-14-25(15-17-26)21-4-2-1-3-5-21)20-8-12-24(13-9-20)18-19-6-10-23-11-7-19/h1-7,10-11,20H,8-9,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	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)	BDBM50325454 (1-(1-(1-(thiophen-3-ylmethyl)piperidine-4-carbonyl...) Show SMILES O=C(C1CCN(Cc2ccsc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H28N4O2S/c28-22(18-5-10-25(11-6-18)15-17-9-14-30-16-17)26-12-7-19(8-13-26)27-21-4-2-1-3-20(21)24-23(27)29/h1-4,9,14,16,18-19H,5-8,10-13,15H2,(H,24,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	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)	BDBM50325459 (1-(1-(1-(pyridin-3-ylmethyl)piperidine-4-carbonyl)...) Show SMILES O=C(C1CCN(Cc2cccnc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C24H29N5O2/c30-23(19-7-12-27(13-8-19)17-18-4-3-11-25-16-18)28-14-9-20(10-15-28)29-22-6-2-1-5-21(22)26-24(29)31/h1-6,11,16,19-20H,7-10,12-15,17H2,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	174	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)	BDBM50325476 (1-(1-(2-(1-(pyridin-4-ylmethyl)piperidin-4-yl)acet...) Show SMILES O=C(CC1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H31N5O2/c31-24(17-19-7-13-28(14-8-19)18-20-5-11-26-12-6-20)29-15-9-21(10-16-29)30-23-4-2-1-3-22(23)27-25(30)32/h1-6,11-12,19,21H,7-10,13-18H2,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	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)	BDBM50325453 (1-(1-(1-(furan-3-ylmethyl)piperidine-4-carbonyl)pi...) Show SMILES O=C(C1CCN(Cc2ccoc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C23H28N4O3/c28-22(18-5-10-25(11-6-18)15-17-9-14-30-16-17)26-12-7-19(8-13-26)27-21-4-2-1-3-20(21)24-23(27)29/h1-4,9,14,16,18-19H,5-8,10-13,15H2,(H,24,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	204	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)	BDBM50325487 (CHEMBL1223220 | N-(3-methoxypropyl)-3-((4-(1-(pyri...) Show SMILES COCCCNC(=O)c1cccc(CN2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1 Show InChI InChI=1S/C28H39N5O3/c1-36-19-3-10-30-27(34)26-5-2-4-24(20-26)22-32-15-17-33(18-16-32)28(35)25-8-13-31(14-9-25)21-23-6-11-29-12-7-23/h2,4-7,11-12,20,25H,3,8-10,13-19,21-22H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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)	BDBM50325457 (1-(1-(1-((3-chloropyridin-4-yl)methyl)piperidine-4...) Show SMILES Clc1cnccc1CN1CCC(CC1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C24H28ClN5O2/c25-20-15-26-10-5-18(20)16-28-11-6-17(7-12-28)23(31)29-13-8-19(9-14-29)30-22-4-2-1-3-21(22)27-24(30)32/h1-5,10,15,17,19H,6-9,11-14,16H2,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	222	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)	BDBM50325482 ((4-methylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)pip...) Show SMILES CN1CCN(CC1)C(=O)C1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C17H26N4O/c1-19-10-12-21(13-11-19)17(22)16-4-8-20(9-5-16)14-15-2-6-18-7-3-15/h2-3,6-7,16H,4-5,8-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	355	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)	BDBM50325458 (4-((4-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-...) Show SMILES ON1C=CC(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C=C1 |c:2,34| Show InChI InChI=1S/C24H31N5O3/c30-23(19-7-11-26(12-8-19)17-18-5-15-28(32)16-6-18)27-13-9-20(10-14-27)29-22-4-2-1-3-21(22)25-24(29)31/h1-6,15-16,18-20,32H,7-14,17H2,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	440	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)	BDBM50325456 (1-(1-(1-(2-(pyridin-4-yl)ethyl)piperidine-4-carbon...) Show SMILES O=C(C1CCN(CCc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C25H31N5O2/c31-24(20-8-15-28(16-9-20)14-7-19-5-12-26-13-6-19)29-17-10-21(11-18-29)30-23-4-2-1-3-22(23)27-25(30)32/h1-6,12-13,20-21H,7-11,14-18H2,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	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)	BDBM50325452 (1-(1-(1-(quinolin-4-ylmethyl)piperidine-4-carbonyl...) Show SMILES O=C(C1CCN(Cc2ccnc3ccccc23)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C28H31N5O2/c34-27(32-17-12-22(13-18-32)33-26-8-4-3-7-25(26)30-28(33)35)20-10-15-31(16-11-20)19-21-9-14-29-24-6-2-1-5-23(21)24/h1-9,14,20,22H,10-13,15-19H2,(H,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	681	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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 3A4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				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
Cytochrome P450 2D6 (Homo sapiens (Human))	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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				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
Cytochrome P450 2D6 (Homo sapiens (Human))	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	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				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

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