Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50012198   

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-P receptor (Homo sapiens (Human))	BDBM50115967 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(O)C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H17ClF6N2O3/c1-32(21(34)15-9-16(23(26,27)28)12-17(10-15)24(29,30)31)20-11-14(22(35)33(2)36)5-8-19(20)13-3-6-18(25)7-4-13/h3-12,36H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115966 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCNC1=O Show InChI InChI=1S/C29H30ClN3O6/c1-37-24-15-19(16-25(38-2)26(24)39-3)28(35)33-23-14-18(9-12-21(23)17-7-10-20(30)11-8-17)27(34)32-22-6-4-5-13-31-29(22)36/h7-12,14-16,22H,4-6,13H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403920 (CHEMBL2112212) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H23Cl2F6N3O3/c1-40(27(43)17-10-18(28(32,33)34)14-19(11-17)29(35,36)37)24-13-16(25(41)39-23-4-2-3-9-38-26(23)42)5-7-20(24)15-6-8-21(30)22(31)12-15/h5-8,10-14,23H,2-4,9H2,1H3,(H,38,42)(H,39,41)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403918 (CHEMBL2113739) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24F7N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115965 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6N3O2/c1-37(2)12-4-11-36-25(39)18-7-10-23(17-5-8-22(29)9-6-17)24(15-18)38(3)26(40)19-13-20(27(30,31)32)16-21(14-19)28(33,34)35/h5-10,13-16H,4,11-12H2,1-3H3,(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115959 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccccc1)C(=O)NC1CCCCNC1=O Show InChI InChI=1S/C29H25F6N3O3/c1-38(27(41)19-13-20(28(30,31)32)16-21(14-19)29(33,34)35)24-15-18(10-11-22(24)17-7-3-2-4-8-17)25(39)37-23-9-5-6-12-36-26(23)40/h2-4,7-8,10-11,13-16,23H,5-6,9,12H2,1H3,(H,36,40)(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403916 (CHEMBL2113740) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24ClF6N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115957 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25ClF6N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115969 (CHEMBL305375 | N-[4-(N-Cyclohexyl-hydrazinocarbony...) Show SMILES CN(C(=O)c1ccccc1)c1cc(ccc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H27FN2O2/c1-30(27(32)20-8-4-2-5-9-20)25-18-21(26(31)29-23-10-6-3-7-11-23)14-17-24(25)19-12-15-22(28)16-13-19/h2,4-5,8-9,12-18,23H,3,6-7,10-11H2,1H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115964 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19ClF6N2O2/c1-33(2)22(35)15-6-9-20(14-4-7-19(26)8-5-14)21(12-15)34(3)23(36)16-10-17(24(27,28)29)13-18(11-16)25(30,31)32/h4-13H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403919 (CHEMBL2112211) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C30H27F6N3O3/c1-17-6-8-18(9-7-17)23-11-10-19(26(40)38-24-5-3-4-12-37-27(24)41)15-25(23)39(2)28(42)20-13-21(29(31,32)33)16-22(14-20)30(34,35)36/h6-11,13-16,24H,3-5,12H2,1-2H3,(H,37,41)(H,38,40)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115970 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H31ClN2O5/c1-35-25-16-20(17-26(36-2)27(25)37-3)29(34)32-24-15-19(28(33)31-22-7-5-4-6-8-22)11-14-23(24)18-9-12-21(30)13-10-18/h9-17,22H,4-8H2,1-3H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403917 (CHEMBL2112209) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C30H32ClN3O6/c1-34(30(37)20-16-25(38-2)27(40-4)26(17-20)39-3)24-15-19(10-13-22(24)18-8-11-21(31)12-9-18)28(35)33-23-7-5-6-14-32-29(23)36/h8-13,15-17,23H,5-7,14H2,1-4H3,(H,32,36)(H,33,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403918 (CHEMBL2113739) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24F7N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115970 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H31ClN2O5/c1-35-25-16-20(17-26(36-2)27(25)37-3)29(34)32-24-15-19(28(33)31-22-7-5-4-6-8-22)11-14-23(24)18-9-12-21(30)13-10-18/h9-17,22H,4-8H2,1-3H3,(H,31,33)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50115963 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25F7N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description inhibition of [3H]-Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403920 (CHEMBL2112212) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H23Cl2F6N3O3/c1-40(27(43)17-10-18(28(32,33)34)14-19(11-17)29(35,36)37)24-13-16(25(41)39-23-4-2-3-9-38-26(23)42)5-7-20(24)15-6-8-21(30)22(31)12-15/h5-8,10-14,23H,2-4,9H2,1H3,(H,38,42)(H,39,41)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115957 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25ClF6N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403916 (CHEMBL2113740) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C29H24ClF6N3O3/c1-39(27(42)18-12-19(28(31,32)33)15-20(13-18)29(34,35)36)24-14-17(7-10-22(24)16-5-8-21(30)9-6-16)25(40)38-23-4-2-3-11-37-26(23)41/h5-10,12-15,23H,2-4,11H2,1H3,(H,37,41)(H,38,40)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115965 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26ClF6N3O2/c1-37(2)12-4-11-36-25(39)18-7-10-23(17-5-8-22(29)9-6-17)24(15-18)38(3)26(40)19-13-20(27(30,31)32)16-21(14-19)28(33,34)35/h5-10,13-16H,4,11-12H2,1-3H3,(H,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403917 (CHEMBL2112209) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1cc(ccc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C30H32ClN3O6/c1-34(30(37)20-16-25(38-2)27(40-4)26(17-20)39-3)24-15-19(10-13-22(24)18-8-11-21(31)12-9-18)28(35)33-23-7-5-6-14-32-29(23)36/h8-13,15-17,23H,5-7,14H2,1-4H3,(H,32,36)(H,33,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115963 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H25F7N2O2/c1-38(27(40)19-13-20(28(31,32)33)16-21(14-19)29(34,35)36)25-15-18(26(39)37-23-5-3-2-4-6-23)9-12-24(25)17-7-10-22(30)11-8-17/h7-16,23H,2-6H2,1H3,(H,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50403919 (CHEMBL2112211) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCCNC1=O |r| Show InChI InChI=1S/C30H27F6N3O3/c1-17-6-8-18(9-7-17)23-11-10-19(26(40)38-24-5-3-4-12-37-27(24)41)15-25(23)39(2)28(42)20-13-21(29(31,32)33)16-22(14-20)30(34,35)36/h6-11,13-16,24H,3-5,12H2,1-2H3,(H,37,41)(H,38,40)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115964 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19ClF6N2O2/c1-33(2)22(35)15-6-9-20(14-4-7-19(26)8-5-14)21(12-15)34(3)23(36)16-10-17(24(27,28)29)13-18(11-16)25(30,31)32/h4-13H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115959 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(ccc1-c1ccccc1)C(=O)NC1CCCCNC1=O Show InChI InChI=1S/C29H25F6N3O3/c1-38(27(41)19-13-20(28(30,31)32)16-21(14-19)29(33,34)35)24-15-18(10-11-22(24)17-7-3-2-4-8-17)25(39)37-23-9-5-6-12-36-26(23)40/h2-4,7-8,10-11,13-16,23H,5-6,9,12H2,1H3,(H,36,40)(H,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115967 (2-[(3,5-Bis-trifluoromethyl-benzoyl)-methyl-amino]...) Show SMILES CN(O)C(=O)c1ccc(-c2ccc(Cl)cc2)c(c1)N(C)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H17ClF6N2O3/c1-32(21(34)15-9-16(23(26,27)28)12-17(10-15)24(29,30)31)20-11-14(22(35)33(2)36)5-8-19(20)13-3-6-18(25)7-4-13/h3-12,36H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115969 (CHEMBL305375 | N-[4-(N-Cyclohexyl-hydrazinocarbony...) Show SMILES CN(C(=O)c1ccccc1)c1cc(ccc1-c1ccc(F)cc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H27FN2O2/c1-30(27(32)20-8-4-2-5-9-20)25-18-21(26(31)29-23-10-6-3-7-11-23)14-17-24(25)19-12-15-22(28)16-13-19/h2,4-5,8-9,12-18,23H,3,6-7,10-11H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinan...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50115966 (4'-Chloro-2-(3,4,5-trimethoxy-benzoylamino)-biphen...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NC1CCCCNC1=O Show InChI InChI=1S/C29H30ClN3O6/c1-37-24-15-19(16-25(38-2)26(24)39-3)28(35)33-23-14-18(9-12-21(23)17-7-10-20(30)11-8-17)27(34)32-22-6-4-5-13-31-29(22)36/h7-12,14-16,22H,4-6,13H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO-cells expressing human recombinant Tachykinin rec...				Bioorg Med Chem Lett 12: 2065-8 (2002) BindingDB Entry DOI: 10.7270/Q2K64HD2
					More data for this Ligand-Target Pair