Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'grisonl' and Initial = 's'   

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 (Rattus norvegicus (rat))	BDBM50284880 (2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-4,4-dipheny...) Show SMILES COc1ccccc1CC(=N)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N2O2S/c1-32-26-15-9-8-10-20(26)16-27(29)30-17-23-24(18-30)28(33-19-25(23)31,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,23-24,29H,16-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284882 (2-[2-(2-Methoxy-phenyl)-2-methylsulfanyl-acetyl]-4...) Show SMILES COc1ccccc1[C@H](SC)C(=O)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H29NO3S2/c1-33-26-16-10-9-15-22(26)27(34-2)28(32)30-17-23-24(18-30)29(35-19-25(23)31,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,23-24,27H,17-19H2,1-2H3/t23?,24?,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50029885 ((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...) Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284880 (2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-4,4-dipheny...) Show SMILES COc1ccccc1CC(=N)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28N2O2S/c1-32-26-15-9-8-10-20(26)16-27(29)30-17-23-24(18-30)28(33-19-25(23)31,21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,23-24,29H,16-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284876 ((S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,...) Show SMILES COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)C(CC[C@@]2(O)c1ccccc1OC)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284882 (2-[2-(2-Methoxy-phenyl)-2-methylsulfanyl-acetyl]-4...) Show SMILES COc1ccccc1[C@H](SC)C(=O)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H29NO3S2/c1-33-26-16-10-9-15-22(26)27(34-2)28(32)30-17-23-24(18-30)29(35-19-25(23)31,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,23-24,27H,17-19H2,1-2H3/t23?,24?,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284877 (2-{2-[2-(3-Dimethylamino-propoxy)-phenyl]-acetyl}-...) Show SMILES CN(C)CCCOc1ccccc1CC(=O)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N2O3S/c1-33(2)18-11-19-37-30-17-10-9-12-24(30)20-31(36)34-21-27-28(22-34)32(38-23-29(27)35,25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-10,12-17,27-28H,11,18-23H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284879 (1-[7-Hydroxy-7-(2-methoxy-phenyl)-4,4-diphenyl-hex...) Show SMILES COc1ccccc1[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)C(SC[C@]2(O)c1ccccc1OC)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H37NO4S/c1-25(28-18-10-12-20-32(28)40-2)34(38)37-22-30-31(23-37)36(26-14-6-4-7-15-26,27-16-8-5-9-17-27)42-24-35(30,39)29-19-11-13-21-33(29)41-3/h4-21,25,30-31,39H,22-24H2,1-3H3/t25-,30-,31+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284878 (2-[2-(2-Dimethylamino-phenyl)-acetyl]-4,4-diphenyl...) Show SMILES CN(C)c1ccccc1CC(=O)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2S/c1-30(2)26-16-10-9-11-21(26)17-28(33)31-18-24-25(19-31)29(34-20-27(24)32,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,24-25H,17-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50029885 ((3aR,7aR)-2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7...) Show SMILES COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284877 (2-{2-[2-(3-Dimethylamino-propoxy)-phenyl]-acetyl}-...) Show SMILES CN(C)CCCOc1ccccc1CC(=O)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N2O3S/c1-33(2)18-11-19-37-30-17-10-9-12-24(30)20-31(36)34-21-27-28(22-34)32(38-23-29(27)35,25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-10,12-17,27-28H,11,18-23H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284883 (2-(2-Dimethylamino-phenyl)-1-(7-hydroxy-4,4-diphen...) Show SMILES CN(C)c1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)C(SC[C@@H]2O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H32N2O2S/c1-30(2)26-16-10-9-11-21(26)17-28(33)31-18-24-25(19-31)29(34-20-27(24)32,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,24-25,27,32H,17-20H2,1-2H3/t24-,25+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284878 (2-[2-(2-Dimethylamino-phenyl)-acetyl]-4,4-diphenyl...) Show SMILES CN(C)c1ccccc1CC(=O)N1CC2C(C1)C(SCC2=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30N2O2S/c1-30(2)26-16-10-9-11-21(26)17-28(33)31-18-24-25(19-31)29(34-20-27(24)32,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,24-25H,17-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50284883 (2-(2-Dimethylamino-phenyl)-1-(7-hydroxy-4,4-diphen...) Show SMILES CN(C)c1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)C(SC[C@@H]2O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H32N2O2S/c1-30(2)26-16-10-9-11-21(26)17-28(33)31-18-24-25(19-31)29(34-20-27(24)32,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,24-25,27,32H,17-20H2,1-2H3/t24-,25+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on human IM9 lymphoblasts cultured cell line.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284881 (2-[2-(2-Dimethylamino-phenyl)-acetyl]-5-oxo-4,4-di...) Show SMILES CN(C)c1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)C(c1ccccc1)(c1ccccc1)S(=O)CC2=O Show InChI InChI=1S/C29H30N2O3S/c1-30(2)26-16-10-9-11-21(26)17-28(33)31-18-24-25(19-31)29(35(34)20-27(24)32,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-16,24-25H,17-20H2,1-2H3/t24-,25+,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284876 ((S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,...) Show SMILES COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)C(CC[C@@]2(O)c1ccccc1OC)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50284879 (1-[7-Hydroxy-7-(2-methoxy-phenyl)-4,4-diphenyl-hex...) Show SMILES COc1ccccc1[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)C(SC[C@]2(O)c1ccccc1OC)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H37NO4S/c1-25(28-18-10-12-20-32(28)40-2)34(38)37-22-30-31(23-37)36(26-14-6-4-7-15-26,27-16-8-5-9-17-27)42-24-35(30,39)29-19-11-13-21-33(29)41-3/h4-21,25,30-31,39H,22-24H2,1-3H3/t25-,30-,31+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity to NK1 receptor in [3H]-SP binding assay on rat brain membranes.				Bioorg Med Chem Lett 5: 1591-1594 (1995) Article DOI: 10.1016/0960-894X(95)00277-Z BindingDB Entry DOI: 10.7270/Q2X92B74
					More data for this Ligand-Target Pair