Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'seidl' and Initial = 'v'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM50108260 (1-(5-tert-Butyl-[1,2,4]oxadiazol-3-ylmethoxy)-3-(3...) Show SMILES CO\N=C(/COCc1noc(n1)C(C)(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H38Cl2N4O4/c1-29(2,3)28-33-27(35-40-28)20-39-19-26(34-38-4)23(21-10-11-24(31)25(32)18-21)12-15-36-16-13-30(37,14-17-36)22-8-6-5-7-9-22/h5-11,18,23,37H,12-17,19-20H2,1-4H3/b34-26+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108281 (CHEMBL32197 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2N3O3/c1-23-18-24(2)20-26(19-23)32(39)37(3)22-31(36-41-4)28(25-10-11-29(34)30(35)21-25)12-15-38-16-13-33(40,14-17-38)27-8-6-5-7-9-27/h5-11,18-21,28,40H,12-17,22H2,1-4H3/b36-31+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108271 (CHEMBL32124 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(c1)N(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H41Cl2N5O3/c1-23-19-25(21-31(36-23)38(2)3)32(41)39(4)22-30(37-43-5)27(24-11-12-28(34)29(35)20-24)13-16-40-17-14-33(42,15-18-40)26-9-7-6-8-10-26/h6-12,19-21,27,42H,13-18,22H2,1-5H3/b37-30+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108238 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H33Cl4N3O3/c1-37(30(39)22-16-24(32)19-25(33)17-22)20-29(36-41-2)26(21-8-9-27(34)28(35)18-21)10-13-38-14-11-31(40,12-15-38)23-6-4-3-5-7-23/h3-9,16-19,26,40H,10-15,20H2,1-2H3/b36-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108240 (5-Methyl-thiophene-2-carboxylic acid {3-(3,4-dichl...) Show SMILES CO\N=C(/CN(C)C(=O)c1ccc(C)s1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H35Cl2N3O3S/c1-21-9-12-28(39-21)29(36)34(2)20-27(33-38-3)24(22-10-11-25(31)26(32)19-22)13-16-35-17-14-30(37,15-18-35)23-7-5-4-6-8-23/h4-12,19,24,37H,13-18,20H2,1-3H3/b33-27+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	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))	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))	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))	BDBM50108281 (CHEMBL32197 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)cc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2N3O3/c1-23-18-24(2)20-26(19-23)32(39)37(3)22-31(36-41-4)28(25-10-11-29(34)30(35)21-25)12-15-38-16-13-33(40,14-17-38)27-8-6-5-7-9-27/h5-11,18-21,28,40H,12-17,22H2,1-4H3/b36-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108267 (CHEMBL32537 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(OC)cc(OC)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H39Cl2N3O5/c1-37(32(39)24-18-26(41-2)21-27(19-24)42-3)22-31(36-43-4)28(23-10-11-29(34)30(35)20-23)12-15-38-16-13-33(40,14-17-38)25-8-6-5-7-9-25/h5-11,18-21,28,40H,12-17,22H2,1-4H3/b36-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108272 (CHEMBL33249 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H31Cl2F6N3O3/c1-46-42-28(19-41-29(44)21-15-23(31(35,36)37)18-24(16-21)32(38,39)40)25(20-7-8-26(33)27(34)17-20)9-12-43-13-10-30(45,11-14-43)22-5-3-2-4-6-22/h2-8,15-18,25,45H,9-14,19H2,1H3,(H,41,44)/b42-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50108272 (CHEMBL33249 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H31Cl2F6N3O3/c1-46-42-28(19-41-29(44)21-15-23(31(35,36)37)18-24(16-21)32(38,39)40)25(20-7-8-26(33)27(34)17-20)9-12-43-13-10-30(45,11-14-43)22-5-3-2-4-6-22/h2-8,15-18,25,45H,9-14,19H2,1H3,(H,41,44)/b42-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested for binding affinity against neurokinin 1 (NK1) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	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
Substance-K receptor (Homo sapiens (Human))	BDBM50108238 (3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H33Cl4N3O3/c1-37(30(39)22-16-24(32)19-25(33)17-22)20-29(36-41-2)26(21-8-9-27(34)28(35)18-21)10-13-38-14-11-31(40,12-15-38)23-6-4-3-5-7-23/h3-9,16-19,26,40H,10-15,20H2,1-2H3/b36-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50108245 (5-Bromo-N-{3-(3,4-dichloro-phenyl)-5-(4-hydroxy-4-...) Show SMILES CO\N=C(/CN(C)C(=O)c1cncc(Br)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H33BrCl2N4O3/c1-36(29(38)22-16-24(31)19-34-18-22)20-28(35-40-2)25(21-8-9-26(32)27(33)17-21)10-13-37-14-11-30(39,12-15-37)23-6-4-3-5-7-23/h3-9,16-19,25,39H,10-15,20H2,1-2H3/b35-28+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-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
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-K receptor (Homo sapiens (Human))	BDBM50108248 (1-(4-tert-Butyl-benzyloxy)-3-(3,4-dichloro-phenyl)...) Show SMILES CO\N=C(/COCc1ccc(cc1)C(C)(C)C)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H42Cl2N2O3/c1-33(2,3)27-13-10-25(11-14-27)23-41-24-32(37-40-4)29(26-12-15-30(35)31(36)22-26)16-19-38-20-17-34(39,18-21-38)28-8-6-5-7-9-28/h5-15,22,29,39H,16-21,23-24H2,1-4H3/b37-32+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity test against Neurokinin 2 (NK2) receptor				Bioorg Med Chem Lett 12: 141-5 (2001) BindingDB Entry DOI: 10.7270/Q2902329
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	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
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-K 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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6	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))	BDBM50108258 (CHEMBL285986 | {3-(3,4-Dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H33Cl2F6N3O4/c1-43(30(45)48-25-18-23(32(36,37)38)17-24(19-25)33(39,40)41)20-29(42-47-2)26(21-8-9-27(34)28(35)16-21)10-13-44-14-11-31(46,12-15-44)22-6-4-3-5-7-22/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	PubMed	6	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))	BDBM50108250 (CHEMBL33215 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2N4O3/c1-22-18-25(19-23(2)35-22)31(39)37(3)21-30(36-41-4)27(24-10-11-28(33)29(34)20-24)12-15-38-16-13-32(40,14-17-38)26-8-6-5-7-9-26/h5-11,18-20,27,40H,12-17,21H2,1-4H3/b36-30+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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))	BDBM50108278 (1-(3,5-Dichloro-benzyloxy)-3-(3,4-dichloro-phenyl)...) Show SMILES CO\N=C(/COCc1cc(Cl)cc(Cl)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H32Cl4N2O3/c1-38-35-29(20-39-19-21-15-24(31)18-25(32)16-21)26(22-7-8-27(33)28(34)17-22)9-12-36-13-10-30(37,11-14-36)23-5-3-2-4-6-23/h2-8,15-18,26,37H,9-14,19-20H2,1H3/b35-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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))	BDBM50108270 (3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-pipe...) Show SMILES CO\N=C(\C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C33H33Cl2F6N3O3/c1-43(20-21-16-24(32(36,37)38)19-25(17-21)33(39,40)41)30(45)29(42-47-2)26(22-8-9-27(34)28(35)18-22)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	6	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))	BDBM50108247 (1-(Adamantan-1-ylmethoxy)-3-(3,4-dichloro-phenyl)-...) Show SMILES CO\N=C(/COCC12CC3CC(CC(C3)C1)C2)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |TLB:16:7:14:11.10.12,THB:16:11:7.15.8:14,6:7:14:11.10.12,8:7:9.10.14:12,8:9:7.16.15:12| Show InChI InChI=1S/C34H44Cl2N2O3/c1-40-37-32(22-41-23-33-19-24-15-25(20-33)17-26(16-24)21-33)29(27-7-8-30(35)31(36)18-27)9-12-38-13-10-34(39,11-14-38)28-5-3-2-4-6-28/h2-8,18,24-26,29,39H,9-17,19-23H2,1H3/b37-32+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7	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))	BDBM50108268 (4-Dimethylamino-naphthalene-1-carboxylic acid {3-(...) Show SMILES CO\N=C(/CN(C)C(=O)c1ccc(N(C)C)c2ccccc12)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C37H42Cl2N4O3/c1-41(2)35-17-15-31(29-12-8-9-13-30(29)35)36(44)42(3)25-34(40-46-4)28(26-14-16-32(38)33(39)24-26)18-21-43-22-19-37(45,20-23-43)27-10-6-5-7-11-27/h5-17,24,28,45H,18-23,25H2,1-4H3/b40-34+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8	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))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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))	BDBM50108264 (3-(3,4-Dichloro-phenyl)-1-(3,5-dimethyl-benzyloxy)...) Show SMILES CO\N=C(/COCc1cc(C)cc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2N2O3/c1-23-17-24(2)19-25(18-23)21-39-22-31(35-38-3)28(26-9-10-29(33)30(34)20-26)11-14-36-15-12-32(37,13-16-36)27-7-5-4-6-8-27/h4-10,17-20,28,37H,11-16,21-22H2,1-3H3/b35-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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))	BDBM50108250 (CHEMBL33215 | N-{3-(3,4-Dichloro-phenyl)-5-(4-hydr...) Show SMILES CO\N=C(/CN(C)C(=O)c1cc(C)nc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2N4O3/c1-22-18-25(19-23(2)35-22)31(39)37(3)21-30(36-41-4)27(24-10-11-28(33)29(34)20-24)12-15-38-16-13-32(40,14-17-38)26-8-6-5-7-9-26/h5-11,18-20,27,40H,12-17,21H2,1-4H3/b36-30+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50108273 (3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-pipe...) Show SMILES CO\N=C(/COCc1ccc(C)cc1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2N2O3/c1-23-8-10-24(11-9-23)21-38-22-30(34-37-2)27(25-12-13-28(32)29(33)20-25)14-17-35-18-15-31(36,16-19-35)26-6-4-3-5-7-26/h3-13,20,27,36H,14-19,21-22H2,1-2H3/b34-30+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	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 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))	BDBM50108253 (3-(3,4-Dichloro-phenyl)-1-(3-fluoro-5-trifluoromet...) Show SMILES CO\N=C(/COCc1cc(F)cc(c1)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H32Cl2F4N2O3/c1-41-38-29(20-42-19-21-15-24(31(35,36)37)18-25(34)16-21)26(22-7-8-27(32)28(33)17-22)9-12-39-13-10-30(40,11-14-39)23-5-3-2-4-6-23/h2-8,15-18,26,40H,9-14,19-20H2,1H3/b38-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 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))	BDBM50108255 (1-(3,5-Dibromo-benzyloxy)-3-(3,4-dichloro-phenyl)-...) Show SMILES CO\N=C(/COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H32Br2Cl2N2O3/c1-38-35-29(20-39-19-21-15-24(31)18-25(32)16-21)26(22-7-8-27(33)28(34)17-22)9-12-36-13-10-30(37,11-14-36)23-5-3-2-4-6-23/h2-8,15-18,26,37H,9-14,19-20H2,1H3/b35-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 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))	BDBM50108258 (CHEMBL285986 | {3-(3,4-Dichloro-phenyl)-5-(4-hydro...) Show SMILES CO\N=C(/CN(C)C(=O)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C33H33Cl2F6N3O4/c1-43(30(45)48-25-18-23(32(36,37)38)17-24(19-25)33(39,40)41)20-29(42-47-2)26(21-8-9-27(34)28(35)16-21)10-13-44-14-11-31(46,12-15-44)22-6-4-3-5-7-22/h3-9,16-19,26,46H,10-15,20H2,1-2H3/b42-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	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))	BDBM50108268 (4-Dimethylamino-naphthalene-1-carboxylic acid {3-(...) Show SMILES CO\N=C(/CN(C)C(=O)c1ccc(N(C)C)c2ccccc12)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C37H42Cl2N4O3/c1-41(2)35-17-15-31(29-12-8-9-13-30(29)35)36(44)42(3)25-34(40-46-4)28(26-14-16-32(38)33(39)24-26)18-21-43-22-19-37(45,20-23-43)27-10-6-5-7-11-27/h5-17,24,28,45H,18-23,25H2,1-4H3/b40-34+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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))	BDBM50108257 (3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-pipe...) Show SMILES CO\N=C(/COCc1ccc2ccccc2c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H36Cl2N2O3/c1-40-37-33(24-41-23-25-11-12-26-7-5-6-8-27(26)21-25)30(28-13-14-31(35)32(36)22-28)15-18-38-19-16-34(39,17-20-38)29-9-3-2-4-10-29/h2-14,21-22,30,39H,15-20,23-24H2,1H3/b37-33+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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))	BDBM50108244 (1-Cyclohexylmethoxy-3-(3,4-dichloro-phenyl)-5-(4-h...) Show SMILES CO\N=C(/COCC1CCCCC1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H40Cl2N2O3/c1-36-33-29(22-37-21-23-8-4-2-5-9-23)26(24-12-13-27(31)28(32)20-24)14-17-34-18-15-30(35,16-19-34)25-10-6-3-7-11-25/h3,6-7,10-13,20,23,26,35H,2,4-5,8-9,14-19,21-22H2,1H3/b33-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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))	BDBM50108243 (3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-pipe...) Show SMILES CO\N=C(/COCc1cccc(C)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2N2O3/c1-23-7-6-8-24(19-23)21-38-22-30(34-37-2)27(25-11-12-28(32)29(33)20-25)13-16-35-17-14-31(36,15-18-35)26-9-4-3-5-10-26/h3-12,19-20,27,36H,13-18,21-22H2,1-2H3/b34-30+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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))	BDBM50108255 (1-(3,5-Dibromo-benzyloxy)-3-(3,4-dichloro-phenyl)-...) Show SMILES CO\N=C(/COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H32Br2Cl2N2O3/c1-38-35-29(20-39-19-21-15-24(31)18-25(32)16-21)26(22-7-8-27(33)28(34)17-22)9-12-36-13-10-30(37,11-14-36)23-5-3-2-4-6-23/h2-8,15-18,26,37H,9-14,19-20H2,1H3/b35-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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))	BDBM50108290 (1-(Benzo[1,2,5]oxadiazol-5-ylmethoxy)-3-(3,4-dichl...) Show SMILES CO\N=C(/COCc1ccc2nonc2c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H32Cl2N4O4/c1-38-33-29(20-39-19-21-7-10-27-28(17-21)35-40-34-27)24(22-8-9-25(31)26(32)18-22)11-14-36-15-12-30(37,13-16-36)23-5-3-2-4-6-23/h2-10,17-18,24,37H,11-16,19-20H2,1H3/b33-29+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	17	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))	BDBM50108263 (3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-benzyloxy...) Show SMILES CO\N=C(/COCc1cc(OC)cc(OC)c1)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H38Cl2N2O5/c1-38-26-17-23(18-27(20-26)39-2)21-41-22-31(35-40-3)28(24-9-10-29(33)30(34)19-24)11-14-36-15-12-32(37,13-16-36)25-7-5-4-6-8-25/h4-10,17-20,28,37H,11-16,21-22H2,1-3H3/b35-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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))	BDBM50108246 (3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-pipe...) Show SMILES CO\N=C(/COCc1ccc2ccc(nc2c1)C(F)(F)F)C(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H34Cl2F3N3O3/c1-44-41-31(22-45-21-23-7-8-24-10-12-32(34(37,38)39)40-30(24)19-23)27(25-9-11-28(35)29(36)20-25)13-16-42-17-14-33(43,15-18-42)26-5-3-2-4-6-26/h2-12,19-20,27,43H,13-18,21-22H2,1H3/b41-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	20	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))	BDBM50108239 (1-[(E)-3-(3,5-Bis-trifluoromethyl-phenyl)-allyloxy...) Show SMILES CO\N=C(/COC\C=C\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/C34H34Cl2F6N2O3/c1-46-43-31(22-47-17-5-6-23-18-26(33(37,38)39)21-27(19-23)34(40,41)42)28(24-9-10-29(35)30(36)20-24)11-14-44-15-12-32(45,13-16-44)25-7-3-2-4-8-25/h2-10,18-21,28,45H,11-17,22H2,1H3/b6-5+,43-31+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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

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