Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'gohda' and Initial = 'y'   

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))	BDBM50069868 ((2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin...) Show SMILES COc1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1 Show InChI InChI=1S/C20H26N2O2/c1-23-17-10-11-19(24-2)16(13-17)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069863 (CHEMBL329007 | N-{4-Methoxy-3-[((2S,3S)-2-phenyl-p...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H29N3O3S/c1-24(28(3,25)26)18-11-12-20(27-2)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069870 ((2-Ethoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-ph...) Show SMILES CCOc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C21H25F3N2O2/c1-2-27-19-11-10-17(28-21(22,23)24)13-16(19)14-26-18-9-6-12-25-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20,25-26H,2,6,9,12,14H2,1H3/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069864 ((5-Chloro-2-methoxy-benzyl)-((2S,3S)-2-phenyl-pipe...) Show SMILES COc1ccc(Cl)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23ClN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069865 ((2-Isopropoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-...) Show SMILES CC(C)Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C22H27F3N2O2/c1-15(2)28-20-11-10-18(29-22(23,24)25)13-17(20)14-27-19-9-6-12-26-21(19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,19,21,26-27H,6,9,12,14H2,1-2H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) Show SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069862 ((2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piper...) Show SMILES FC(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-17-11-5-4-9-15(17)13-23-16-10-6-12-22-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18-19,22-23H,6,10,12-13H2/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069867 ((2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-...) Show SMILES CC(C)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C21H28N2O/c1-16(2)24-20-13-7-6-11-18(20)15-23-19-12-8-14-22-21(19)17-9-4-3-5-10-17/h3-7,9-11,13,16,19,21-23H,8,12,14-15H2,1-2H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000041 ((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...) Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50069860 ((5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phen...) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)N(C)C Show InChI InChI=1S/C21H29N3O/c1-24(2)18-11-12-20(25-3)17(14-18)15-23-19-10-7-13-22-21(19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,19,21-23H,7,10,13,15H2,1-3H3/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50001450 ((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069869 (((2S,3S)-2-Phenyl-piperidin-3-yl)-(2-trifluorometh...) Show SMILES FC(F)(F)Oc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)25-17-11-5-4-9-15(17)13-24-16-10-6-12-23-18(16)14-7-2-1-3-8-14/h1-5,7-9,11,16,18,23-24H,6,10,12-13H2/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50069866 (2-[((2S,3S)-2-Phenyl-piperidin-3-ylamino)-methyl]-...) Show SMILES Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21F3N2O2/c20-19(21,22)26-15-8-9-17(25)14(11-15)12-24-16-7-4-10-23-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18,23-25H,4,7,10,12H2/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells				Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8
					More data for this Ligand-Target Pair