Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'nettekoven' and Initial = 'mh'   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50299467 ((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to human NK3 receptor				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3	PDB 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50299469 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50299469 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50299469 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50299470 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...) Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50299470 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...) Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Neuromedin-K receptor (GUINEA PIG)	BDBM50299470 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...) Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297731 ((6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCCC1C Show InChI InChI=1S/C24H32N2O2/c1-17(2)25-13-10-22(11-14-25)28-23-9-8-19-15-21(7-6-20(19)16-23)24(27)26-12-4-5-18(26)3/h6-9,15-18,22H,4-5,10-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297730 ((4-methoxypiperidin-1-yl)(6-(3-(piperidin-1-yl)pro...) Show SMILES COC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O3/c1-29-23-10-15-27(16-11-23)25(28)22-7-6-21-19-24(9-8-20(21)18-22)30-17-5-14-26-12-3-2-4-13-26/h6-9,18-19,23H,2-5,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297734 ((6-((1S,6S)-7-isopropyl-7-azabicyclo[4.1.1]octan-3...) Show SMILES CC(C)N1[C@@H]2C[C@H]1CC(CC2)Oc1ccc2nc(ccc2c1)C(=O)N1CCOCC1 |r,TLB:1:3:8.9.10.7:5| Show InChI InChI=1S/C24H31N3O3/c1-16(2)27-18-4-5-21(15-19(27)14-18)30-20-6-8-22-17(13-20)3-7-23(25-22)24(28)26-9-11-29-12-10-26/h3,6-8,13,16,18-19,21H,4-5,9-12,14-15H2,1-2H3/t18-,19-,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297727 ((6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C25H34N2O2/c1-18(2)26-14-10-23(11-15-26)29-24-7-6-20-16-22(5-4-21(20)17-24)25(28)27-12-8-19(3)9-13-27/h4-7,16-19,23H,8-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297724 ((6-(1-isobutylpiperidin-4-yloxy)naphthalen-2-yl)(4...) Show SMILES CC(C)CN1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C26H36N2O2/c1-19(2)18-27-12-10-24(11-13-27)30-25-7-6-21-16-23(5-4-22(21)17-25)26(29)28-14-8-20(3)9-15-28/h4-7,16-17,19-20,24H,8-15,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297717 ((6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H30N2O3/c1-17(2)24-9-7-21(8-10-24)28-22-6-5-18-15-20(4-3-19(18)16-22)23(26)25-11-13-27-14-12-25/h3-6,15-17,21H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297716 ((6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(...) Show SMILES COC1CCN(CC1)C(=O)c1ccc2cc(OC3CCN(CC3)C(C)C)ccc2c1 Show InChI InChI=1S/C25H34N2O3/c1-18(2)26-12-10-23(11-13-26)30-24-7-6-19-16-21(5-4-20(19)17-24)25(28)27-14-8-22(29-3)9-15-27/h4-7,16-18,22-23H,8-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297722 (CHEMBL540415 | azetidin-1-yl(6-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2nc(ccc2c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H27N3O2/c1-15(2)23-12-8-17(9-13-23)26-18-5-7-19-16(14-18)4-6-20(22-19)21(25)24-10-3-11-24/h4-7,14-15,17H,3,8-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50299470 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...) Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297733 ((S)-1-(6-(1-isopropylpiperidin-4-yloxy)quinoline-2...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2nc(ccc2c1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C23H28N4O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-8-21-17(14-20)5-7-22(25-21)23(28)27-11-3-4-18(27)15-24/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297729 ((4-(hydroxymethyl)piperidin-1-yl)(6-(3-(piperidin-...) Show SMILES OCC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O3/c28-19-20-9-14-27(15-10-20)25(29)23-6-5-22-18-24(8-7-21(22)17-23)30-16-4-13-26-11-2-1-3-12-26/h5-8,17-18,20,28H,1-4,9-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297721 (CHEMBL550738 | azetidin-1-yl(6-(3-(piperidin-1-yl)...) Show SMILES O=C(N1CCC1)c1ccc2cc(OCCCN3CCCCC3)ccc2n1 Show InChI InChI=1S/C21H27N3O2/c25-21(24-13-4-14-24)20-8-6-17-16-18(7-9-19(17)22-20)26-15-5-12-23-10-2-1-3-11-23/h6-9,16H,1-5,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297719 ((6-(1-isopropylpiperidin-4-yloxy)quinolin-2-yl)(4-...) Show SMILES COC1CCN(CC1)C(=O)c1ccc2cc(OC3CCN(CC3)C(C)C)ccc2n1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)26-12-10-20(11-13-26)30-21-5-7-22-18(16-21)4-6-23(25-22)24(28)27-14-8-19(29-3)9-15-27/h4-7,16-17,19-20H,8-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50299469 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297732 ((4-(hydroxymethyl)piperidin-1-yl)(6-(1-isopropylpi...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCC(CO)CC1 Show InChI InChI=1S/C25H34N2O3/c1-18(2)26-13-9-23(10-14-26)30-24-6-5-20-15-22(4-3-21(20)16-24)25(29)27-11-7-19(17-28)8-12-27/h3-6,15-16,18-19,23,28H,7-14,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50299468 (2-(3,4-dichlorophenyl)-N-(4-fluoro-3-trifluorometh...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N1CCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H33Cl2F4N3O2/c1-28(20-6-7-23(30)24(31)17-20,11-15-37-13-9-21(10-14-37)38-12-3-4-26(38)39)27(40)36(2)18-19-5-8-25(32)22(16-19)29(33,34)35/h5-8,16-17,21H,3-4,9-15,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50291261 ((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...) Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297726 ((6-(1-isopropylpyrrolidin-3-yloxy)naphthalen-2-yl)...) Show SMILES CC(C)N1CCC(C1)Oc1ccc2cc(ccc2c1)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C24H32N2O2/c1-17(2)26-13-10-23(16-26)28-22-7-6-19-14-21(5-4-20(19)15-22)24(27)25-11-8-18(3)9-12-25/h4-7,14-15,17-18,23H,8-13,16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297720 ((6-(1-isopropylpiperidin-4-yloxy)quinolin-2-yl)(mo...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2nc(ccc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H29N3O3/c1-16(2)24-9-7-18(8-10-24)28-19-4-6-20-17(15-19)3-5-21(23-20)22(26)25-11-13-27-14-12-25/h3-6,15-16,18H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297718 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2n1 Show InChI InChI=1S/C24H33N3O2/c1-19-10-15-27(16-11-19)24(28)23-8-6-20-18-21(7-9-22(20)25-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-19H,2-5,10-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50299469 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-2-(3,4-d...) Show SMILES CN(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	515	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297725 ((4-methylpiperidin-1-yl)(6-(2-(1-methylpyrrolidin-...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCC3CCCN3C)ccc2c1 Show InChI InChI=1S/C24H32N2O2/c1-18-9-13-26(14-10-18)24(27)21-6-5-20-17-23(8-7-19(20)16-21)28-15-11-22-4-3-12-25(22)2/h5-8,16-18,22H,3-4,9-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	571	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50299470 (4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chl...) Show SMILES CN(Cc1ccccc1Cl)C(=O)C(C)(CCN1CCC(CC1)N(C)C(C)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	953	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50299467 ((5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidaz...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C60H81N13O14S2/c1-35(2)25-43(55(82)67-41(52(62)79)21-23-88-4)66-49(74)33-64-59(86)48(28-38-19-13-8-14-20-38)73(3)60(87)47(27-37-17-11-7-12-18-37)72-56(83)44(26-36-15-9-6-10-16-36)69-58(85)46(31-51(77)78)71-57(84)45(29-39-32-63-34-65-39)70-54(81)42(22-24-89-5)68-53(80)40(61)30-50(75)76/h6-20,32,34-35,40-48H,21-31,33,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,86)(H,66,74)(H,67,82)(H,68,80)(H,69,85)(H,70,81)(H,71,84)(H,72,83)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to human NK2 receptor				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50297728 ((4-methylpiperidin-1-yl)(6-(3-morpholinopropoxy)na...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCOCC3)ccc2c1 Show InChI InChI=1S/C24H32N2O3/c1-19-7-10-26(11-8-19)24(27)22-4-3-21-18-23(6-5-20(21)17-22)29-14-2-9-25-12-15-28-16-13-25/h3-6,17-19H,2,7-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50051293 ((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...) Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells				J Med Chem 52: 7103-12 (2009) Article DOI: 10.1021/jm900948q BindingDB Entry DOI: 10.7270/Q21G0MBP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	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	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	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	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50297723 ((4-methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)prop...) Show SMILES CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C25H34N2O2/c1-20-10-15-27(16-11-20)25(28)23-7-6-22-19-24(9-8-21(22)18-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-20H,2-5,10-17H2,1H3	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	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 19: 4495-500 (2009) Article DOI: 10.1016/j.bmcl.2009.03.100 BindingDB Entry DOI: 10.7270/Q2MS3STJ
					More data for this Ligand-Target Pair

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