Compile Data Set for Download or QSAR

Found 362 hits with Last Name = 'schwerdt' and Initial = 'j'   

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)	BDBM50175828 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Fc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23FN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175843 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177371 (2-((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...) Show SMILES C[C@@H](OC[C@]1(CN(CC(N)=O)C(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H20F7N3O3/c1-12(13-6-15(21(24,25)26)8-16(7-13)22(27,28)29)35-11-20(14-2-4-17(23)5-3-14)10-32(9-18(30)33)19(34)31-20/h2-8,12H,9-11H2,1H3,(H2,30,33)(H,31,34)/t12-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175833 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1 Show InChI InChI=1S/C18H23ClN4O/c19-15-1-3-16(4-2-15)22-18(24)7-10-23-8-5-14(6-9-23)11-17-12-20-13-21-17/h1-4,12-14H,5-11H2,(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50175843 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 histamine H3 receptor in human brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177376 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES CN1CCC(CC1)N1CC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F7N3O2/c1-34-8-6-21(7-9-34)35-14-23(33-22(35)36,17-2-4-20(26)5-3-17)15-37-13-16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM22542 (4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...) Show SMILES C(C1CCNCC1)c1cnc[nH]1 Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177385 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CN(C)C(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H20F6N2O2/c1-13(14-8-16(20(22,23)24)10-17(9-14)21(25,26)27)31-12-19(11-29(2)18(30)28-19)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,28,30)/t13-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177387 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CNC(=O)N1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N2O2/c1-12(13-7-15(19(21,22)23)9-16(8-13)20(24,25)26)30-11-18(10-27-17(29)28-18)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/t12-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177379 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES CCN1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H21F7N2O2/c1-3-31-11-20(30-19(31)32,15-4-6-18(23)7-5-15)12-33-13(2)14-8-16(21(24,25)26)10-17(9-14)22(27,28)29/h4-10,13H,3,11-12H2,1-2H3,(H,30,32)/t13-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177386 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN(C2CCNCC2)C(=O)N1 Show InChI InChI=1S/C24H24F7N3O2/c25-19-3-1-16(2-4-19)22(13-34(21(35)33-22)20-5-7-32-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20,32H,5-8,12-14H2,(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					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))	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-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
Substance-P receptor (Homo sapiens (Human))	BDBM50177384 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CNC(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F7N2O2/c1-11(12-6-14(19(22,23)24)8-15(7-12)20(25,26)27)31-10-18(9-28-17(30)29-18)13-2-4-16(21)5-3-13/h2-8,11H,9-10H2,1H3,(H2,28,29,30)/t11-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177383 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN(CCN2CCCC2)C(=O)N1 Show InChI InChI=1S/C25H26F7N3O2/c26-21-5-3-18(4-6-21)23(15-35(22(36)33-23)10-9-34-7-1-2-8-34)16-37-14-17-11-19(24(27,28)29)13-20(12-17)25(30,31)32/h3-6,11-13H,1-2,7-10,14-16H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177380 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES CCN1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1 Show InChI InChI=1S/C22H22F6N2O2/c1-3-30-12-20(29-19(30)31,16-7-5-4-6-8-16)13-32-14(2)15-9-17(21(23,24)25)11-18(10-15)22(26,27)28/h4-11,14H,3,12-13H2,1-2H3,(H,29,31)/t14-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50175833 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1 Show InChI InChI=1S/C18H23ClN4O/c19-15-1-3-16(4-2-15)22-18(24)7-10-23-8-5-14(6-9-23)11-17-12-20-13-21-17/h1-4,12-14H,5-11H2,(H,20,21)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in human brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50175828 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES Fc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H23FN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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 histamine H3 receptor in human brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					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
Histamine H3 receptor (GUINEA PIG)	BDBM50175836 (CHEMBL200643 | N-(3-(4-((1H-imidazol-4-yl)methyl)p...) Show SMILES Clc1cccc(NCCCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H25ClN4/c19-16-3-1-4-17(12-16)21-7-2-8-23-9-5-15(6-10-23)11-18-13-20-14-22-18/h1,3-4,12-15,21H,2,5-11H2,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175827 (4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine | ...) Show SMILES CCCCCCCN1CCC(Cc2cnc[nH]2)CC1 Show InChI InChI=1S/C16H29N3/c1-2-3-4-5-6-9-19-10-7-15(8-11-19)12-16-13-17-14-18-16/h13-15H,2-12H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					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-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-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-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-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
Histamine H3 receptor (GUINEA PIG)	BDBM50175851 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-p...) Show SMILES O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1ccccc1 Show InChI InChI=1S/C18H24N4O/c23-18(21-16-4-2-1-3-5-16)8-11-22-9-6-15(7-10-22)12-17-13-19-14-20-17/h1-5,13-15H,6-12H2,(H,19,20)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175846 (4-((1H-imidazol-4-yl)methyl)-1-(3-(3-chlorophenoxy...) Show SMILES Clc1cccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)c1 Show InChI InChI=1S/C18H24ClN3O/c19-16-3-1-4-18(12-16)23-10-2-7-22-8-5-15(6-9-22)11-17-13-20-14-21-17/h1,3-4,12-15H,2,5-11H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					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))	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
Substance-P receptor (Homo sapiens (Human))	BDBM50177375 ((R)-4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-...) Show SMILES Fc1ccc(cc1)[C@]1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CNC(=O)N1 Show InChI InChI=1S/C19H15F7N2O2/c20-15-3-1-12(2-4-15)17(9-27-16(29)28-17)10-30-8-11-5-13(18(21,22)23)7-14(6-11)19(24,25)26/h1-7H,8-10H2,(H2,27,28,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					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
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)	BDBM50175831 (CHEMBL373263 | methyl 4-(3-(4-((1H-imidazol-4-yl)m...) Show SMILES COC(=O)c1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1 Show InChI InChI=1S/C20H26N4O3/c1-27-20(26)16-2-4-17(5-3-16)23-19(25)8-11-24-9-6-15(7-10-24)12-18-13-21-14-22-18/h2-5,13-15H,6-12H2,1H3,(H,21,22)(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175830 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...) Show SMILES COc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1 Show InChI InChI=1S/C19H26N4O2/c1-25-18-4-2-16(3-5-18)22-19(24)8-11-23-9-6-15(7-10-23)12-17-13-20-14-21-17/h2-5,13-15H,6-12H2,1H3,(H,20,21)(H,22,24)	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50175829 (3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-c...) Show SMILES O=C(CCN1CCC(Cc2cnc[nH]2)CC1)NC1CCCCC1 Show InChI InChI=1S/C18H30N4O/c23-18(21-16-4-2-1-3-5-16)8-11-22-9-6-15(7-10-22)12-17-13-19-14-20-17/h13-16H,1-12H2,(H,19,20)(H,21,23)	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177370 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES CC(C)N1C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(NC1=O)c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-14(2)31-12-21(30-20(31)32,17-7-5-4-6-8-17)13-33-15(3)16-9-18(22(24,25)26)11-19(10-16)23(27,28)29/h4-11,14-15H,12-13H2,1-3H3,(H,30,32)/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50177374 ((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)etho...) Show SMILES C[C@@H](OC[C@]1(CN(C)C(=O)N1)c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F7N2O2/c1-12(13-7-15(20(23,24)25)9-16(8-13)21(26,27)28)32-11-19(10-30(2)18(31)29-19)14-3-5-17(22)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,29,31)/t12-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	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 Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					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-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)	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 histamine H3 receptor in guinea pig brain				Bioorg Med Chem Lett 16: 395-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.076 BindingDB Entry DOI: 10.7270/Q29S1QK1
					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))	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-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
Substance-P receptor (Homo sapiens (Human))	BDBM50177378 (4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-(4...) Show SMILES Fc1ccc(cc1)C1(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CNC(=O)N1 Show InChI InChI=1S/C19H15F7N2O2/c20-15-3-1-12(2-4-15)17(9-27-16(29)28-17)10-30-8-11-5-13(18(21,22)23)7-14(6-11)19(24,25)26/h1-7H,8-10H2,(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells				Bioorg Med Chem Lett 16: 1065-9 (2006) Article DOI: 10.1016/j.bmcl.2005.10.072 BindingDB Entry DOI: 10.7270/Q2K073TJ
					More data for this Ligand-Target Pair
Substance-P 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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))	BDBM50108262 (4-Bromo-N-{3-(3,4-dichloro-phenyl)-5-(4-hydroxy-4-...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H38BrCl2N3O5/c1-38(32(40)23-19-29(42-2)31(34)30(20-23)43-3)21-28(37-44-4)25(22-10-11-26(35)27(36)18-22)12-15-39-16-13-33(41,14-17-39)24-8-6-5-7-9-24/h5-11,18-20,25,41H,12-17,21H2,1-4H3/b37-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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))	BDBM50108249 (3-(3,5-Bis-trifluoromethyl-phenyl)-1-{3-(3,4-dichl...) Show SMILES CO\N=C(/CN(C)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H34Cl2F6N4O3/c1-44(30(46)42-25-18-23(32(36,37)38)17-24(19-25)33(39,40)41)20-29(43-48-2)26(21-8-9-27(34)28(35)16-21)10-13-45-14-11-31(47,12-15-45)22-6-4-3-5-7-22/h3-9,16-19,26,47H,10-15,20H2,1-2H3,(H,42,46)/b43-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5	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

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