Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50036395   

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))	BDBM21016 (CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033814 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES CC1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C22H16F6N2O3/c1-20(9-13-10-29-17-5-3-2-4-16(13)17)18(31)30(19(32)33-20)11-12-6-14(21(23,24)25)8-15(7-12)22(26,27)28/h2-8,10,29H,9,11H2,1H3	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033817 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H14F6N2O3/c22-20(23,24)13-5-11(6-14(8-13)21(25,26)27)10-29-18(30)17(32-19(29)31)7-12-9-28-16-4-2-1-3-15(12)16/h1-6,8-9,28,30H,7,10H2	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033817 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H14F6N2O3/c22-20(23,24)13-5-11(6-14(8-13)21(25,26)27)10-29-18(30)17(32-19(29)31)7-12-9-28-16-4-2-1-3-15(12)16/h1-6,8-9,28,30H,7,10H2	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033829 (5-Allyl-3-(3,5-bis-trifluoromethyl-benzyl)-5-(1H-i...) Show SMILES FC(F)(F)c1cc(CN2C(=O)OC(CC=C)(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H18F6N2O3/c1-2-7-22(11-15-12-31-19-6-4-3-5-18(15)19)20(33)32(21(34)35-22)13-14-8-16(23(25,26)27)10-17(9-14)24(28,29)30/h2-6,8-10,12,31H,1,7,11,13H2	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033821 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES CNC(=O)n1c(Cc2c[nH]c3ccccc23)c(O)n(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1=O Show InChI InChI=1S/C23H18F6N4O3/c1-30-20(35)33-18(8-13-10-31-17-5-3-2-4-16(13)17)19(34)32(21(33)36)11-12-6-14(22(24,25)26)9-15(7-12)23(27,28)29/h2-7,9-10,31,34H,8,11H2,1H3,(H,30,35)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033825 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES Cn1c(Cc2c[nH]c3ccccc23)c(O)n(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1=O Show InChI InChI=1S/C22H17F6N3O2/c1-30-18(8-13-10-29-17-5-3-2-4-16(13)17)19(32)31(20(30)33)11-12-6-14(21(23,24)25)9-15(7-12)22(26,27)28/h2-7,9-10,29,32H,8,11H2,1H3	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	153	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033811 (1-(3,5-Bis-trifluoromethyl-benzyl)-3-(1H-indol-3-y...) Show SMILES FC(F)(F)c1cc(CN2C(=O)CC(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H16F6N2O2/c23-21(24,25)15-5-12(6-16(9-15)22(26,27)28)11-30-19(31)8-13(20(30)32)7-14-10-29-18-4-2-1-3-17(14)18/h1-6,9-10,13,29H,7-8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033827 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)n(C(=O)Nc2ccccc2)c(=O)n1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H20F6N4O3/c29-27(30,31)18-10-16(11-19(13-18)28(32,33)34)15-37-24(39)23(12-17-14-35-22-9-5-4-8-21(17)22)38(26(37)41)25(40)36-20-6-2-1-3-7-20/h1-11,13-14,35,39H,12,15H2,(H,36,40)	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033823 (1-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NCC2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H19F6N3O/c23-21(24,25)15-5-13(6-16(8-15)22(26,27)28)11-31-12-17(29-10-20(31)32)7-14-9-30-19-4-2-1-3-18(14)19/h1-6,8-9,17,29-30H,7,10-12H2	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	243	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033822 (1-(3,5-Bis-trifluoromethyl-benzyl)-4-(1H-indol-3-y...) Show SMILES FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NC2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H17F6N3O/c22-20(23,24)14-5-12(6-15(8-14)21(25,26)27)10-30-11-16(29-19(30)31)7-13-9-28-18-4-2-1-3-17(13)18/h1-6,8-9,16,28H,7,10-11H2,(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	267	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033810 (3-(3,5-Dichloro-benzyl)-5-(1H-indol-3-ylmethyl)-ox...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3/c20-13-5-11(6-14(21)8-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-15(12)16/h1-6,8-9,22,24H,7,10H2	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	273	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033813 (1-Benzyl-3-(3,5-bis-trifluoromethyl-benzyl)-5-(1H-...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)n(Cc2ccccc2)c(=O)n1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H21F6N3O2/c29-27(30,31)20-10-18(11-21(13-20)28(32,33)34)16-37-25(38)24(12-19-14-35-23-9-5-4-8-22(19)23)36(26(37)39)15-17-6-2-1-3-7-17/h1-11,13-14,35,38H,12,15-16H2	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033824 (3-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)n1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H15F6N3O2/c22-20(23,24)13-5-11(6-14(8-13)21(25,26)27)10-30-18(31)17(29-19(30)32)7-12-9-28-16-4-2-1-3-15(12)16/h1-6,8-9,28,31H,7,10H2,(H,29,32)	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	317	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033830 (1-(3,5-Bis-trifluoromethyl-benzyl)-5-(1H-indol-3-y...) Show SMILES FC(F)(F)c1cc(CN2CC(Cc3c[nH]c4ccccc34)NC(=O)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F6N3O2/c23-21(24,25)14-5-12(6-15(8-14)22(26,27)28)10-31-11-16(30-19(32)20(31)33)7-13-9-29-18-4-2-1-3-17(13)18/h1-6,8-9,16,29H,7,10-11H2,(H,30,32)	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033815 (3-[4-(3,5-Bis-trifluoromethyl-benzyl)-piperazin-2-...) Show SMILES FC(F)(F)c1cc(CN2CCNC(Cc3c[nH]c4ccccc34)C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F6N3/c23-21(24,25)16-7-14(8-17(10-16)22(26,27)28)12-31-6-5-29-18(13-31)9-15-11-30-20-4-2-1-3-19(15)20/h1-4,7-8,10-11,18,29-30H,5-6,9,12-13H2	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	567	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033812 (3-(3,5-Dimethyl-benzyl)-5-(1H-indol-3-ylmethyl)-ox...) Show SMILES Cc1cc(C)cc(Cn2c(O)c(Cc3c[nH]c4ccccc34)oc2=O)c1 Show InChI InChI=1S/C21H20N2O3/c1-13-7-14(2)9-15(8-13)12-23-20(24)19(26-21(23)25)10-16-11-22-18-6-4-3-5-17(16)18/h3-9,11,22,24H,10,12H2,1-2H3	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	683	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033818 (5-(1H-Indol-3-ylmethyl)-3-(3-trifluoromethyl-benzy...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)14-5-3-4-12(8-14)11-25-18(26)17(28-19(25)27)9-13-10-24-16-7-2-1-6-15(13)16/h1-8,10,24,26H,9,11H2	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	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033816 (3-(3,5-Difluoro-benzyl)-5-(1H-indol-3-ylmethyl)-ox...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1cc(F)cc(F)c1 Show InChI InChI=1S/C19H14F2N2O3/c20-13-5-11(6-14(21)8-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-15(12)16/h1-6,8-9,22,24H,7,10H2	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	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033826 (1-(3,5-Bis-trifluoromethyl-benzyl)-3-(1H-indol-3-y...) Show SMILES FC(F)(F)c1cc(CN2CC(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F6N3O2/c23-21(24,25)14-5-12(6-15(8-14)22(26,27)28)10-31-11-19(32)30-18(20(31)33)7-13-9-29-17-4-2-1-3-16(13)17/h1-6,8-9,18,29H,7,10-11H2,(H,30,32)	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	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033820 (3-Benzyl-5-(1H-indol-3-ylmethyl)-oxazolidine-2,4-d...) Show SMILES Oc1c(Cc2c[nH]c3ccccc23)oc(=O)n1Cc1ccccc1 Show InChI InChI=1S/C19H16N2O3/c22-18-17(10-14-11-20-16-9-5-4-8-15(14)16)24-19(23)21(18)12-13-6-2-1-3-7-13/h1-9,11,20,22H,10,12H2	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50033828 (3-(3,5-Dimethoxy-benzyl)-5-(1H-indol-3-ylmethyl)-o...) Show SMILES COc1cc(Cn2c(O)c(Cc3c[nH]c4ccccc34)oc2=O)cc(OC)c1 Show InChI InChI=1S/C21H20N2O5/c1-26-15-7-13(8-16(10-15)27-2)12-23-20(24)19(28-21(23)25)9-14-11-22-18-6-4-3-5-17(14)18/h3-8,10-11,22,24H,9,12H2,1-2H3	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	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.				J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4
					More data for this Ligand-Target Pair