Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'kiyota' 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
Protein phosphatase 1D (Homo sapiens (Human))	BDBM50118477 (CHEMBL3613748) Show SMILES [H][C@]12C[C@@H](C[C@@](C)(C(O)=O)[C@]1([H])CCC[C@H]2O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C |r| Show InChI InChI=1S/C24H48O4Si2/c1-10-30(11-2,12-3)28-21-15-13-14-20-19(21)16-18(17-24(20,7)22(25)26)27-29(8,9)23(4,5)6/h18-21H,10-17H2,1-9H3,(H,25,26)/t18-,19-,20+,21+,24+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Non-competitive inhibition of His-tagged PPM1D (1 to 420 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells using Ac-VEP...				Bioorg Med Chem 23: 6246-9 (2015) Article DOI: 10.1016/j.bmc.2015.08.042 BindingDB Entry DOI: 10.7270/Q26975C7
					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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50030575 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C26H18F7N3O2/c1-35(13-14-10-16(25(28,29)30)12-17(11-14)26(31,32)33)24(38)22-20(15-5-7-18(27)8-6-15)19-4-3-9-34-21(19)23(37)36(22)2/h3-12H,13H2,1-2H3	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030573 (7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyri...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C26H19F6N3O2/c1-34(14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32)24(37)22-20(16-7-4-3-5-8-16)19-9-6-10-33-21(19)23(36)35(22)2/h3-13H,14H2,1-2H3	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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030589 (N-(3,5-bis(trifluoromethyl)benzyl)-N,7-dimethyl-8-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H21F6N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-34-22(20)24(37)36(3)23(21)25(38)35(2)14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h4-13H,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030576 (4-(4-Fluoro-phenyl)-2-methyl-1-oxo-1,2-dihydro-iso...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C27H19F7N2O2/c1-35(14-15-11-17(26(29,30)31)13-18(12-15)27(32,33)34)25(38)23-22(16-7-9-19(28)10-8-16)20-5-3-4-6-21(20)24(37)36(23)2/h3-13H,14H2,1-2H3	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426652 (CHEMBL2326178) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2F)c1C Show InChI InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426652 (CHEMBL2326178) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2F)c1C Show InChI InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426651 (CHEMBL2326194) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2F)c1C Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-5-3-4-6-15(14)20/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426650 (CHEMBL2326177) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-3-5-15(20)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426651 (CHEMBL2326194) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2F)c1C Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-5-3-4-6-15(14)20/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426648 (CHEMBL2326197) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H,20,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426650 (CHEMBL2326177) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-3-5-15(20)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426649 (CHEMBL2326192) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2)c1C Show InChI InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426649 (CHEMBL2326192) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2)c1C Show InChI InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030584 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES Cn1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(-c2ccc(F)cc2)c2cccnc2c1=O Show InChI InChI=1S/C25H16F7N3O2/c1-35-21(19(14-4-6-17(26)7-5-14)18-3-2-8-33-20(18)23(35)37)22(36)34-12-13-9-15(24(27,28)29)11-16(10-13)25(30,31)32/h2-11H,12H2,1H3,(H,34,36)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426647 (CHEMBL2326196) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2cccc(F)c2)c1C Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030581 (2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C Show InChI InChI=1S/C27H20F6N2O2/c1-34(15-16-12-18(26(28,29)30)14-19(13-16)27(31,32)33)25(37)23-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)24(36)35(23)2/h3-14H,15H2,1-2H3	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426645 (CHEMBL2326193) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2F)c1C Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030572 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(9.78,-12.9,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;16.43,-15.24,;17.65,-15.97,;16.69,-16.85,;17.95,-14.68,;13.77,-10.62,;13.77,-9.2,;15.03,-9.6,;12.53,-9.59,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C28H22F6N2O2/c1-16-8-4-5-9-20(16)23-21-10-6-7-11-22(21)25(37)36(3)24(23)26(38)35(2)15-17-12-18(27(29,30)31)14-19(13-17)28(32,33)34/h4-14H,15H2,1-3H3	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426648 (CHEMBL2326197) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H,20,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426646 (CHEMBL2326189) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C Show InChI InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426647 (CHEMBL2326196) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2cccc(F)c2)c1C Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426646 (CHEMBL2326189) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C Show InChI InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426644 (CHEMBL2326195) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2cccc(F)c2)c1C Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-6-8-25(9-7-24)18-21-16(23-28-18)13-4-3-5-14(19)10-13/h3-5,10H,6-9H2,1-2H3,(H,20,22,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426645 (CHEMBL2326193) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2F)c1C Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50244993 (4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...) Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030607 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES COc1ccccc1CN(C)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C25H22FN3O3/c1-28(15-17-7-4-5-9-20(17)32-3)25(31)23-21(16-10-12-18(26)13-11-16)19-8-6-14-27-22(19)24(30)29(23)2/h4-14H,15H2,1-3H3	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030611 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES Cc1ccccc1-c1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n(C)c(=O)c2ccccc12 |(3.09,-16.71,;4.42,-17.48,;4.42,-19.02,;5.75,-19.79,;7.08,-19.02,;7.09,-17.5,;5.76,-16.71,;5.77,-15.19,;7.12,-14.43,;8.43,-15.2,;8.43,-16.74,;9.78,-14.44,;11.11,-15.22,;12.44,-14.45,;12.44,-12.93,;13.77,-12.16,;15.12,-12.93,;15.1,-14.47,;13.77,-15.24,;16.43,-15.24,;17.65,-15.97,;16.69,-16.85,;17.95,-14.68,;13.77,-10.62,;13.77,-9.2,;15.03,-9.6,;12.53,-9.59,;7.12,-12.89,;8.45,-12.12,;5.79,-12.11,;5.79,-10.57,;4.44,-12.88,;3.13,-12.09,;1.8,-12.88,;1.8,-14.42,;3.13,-15.17,;4.44,-14.42,)| Show InChI InChI=1S/C27H20F6N2O2/c1-15-7-3-4-8-19(15)22-20-9-5-6-10-21(20)25(37)35(2)23(22)24(36)34-14-16-11-17(26(28,29)30)13-18(12-16)27(31,32)33/h3-13H,14H2,1-2H3,(H,34,36)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426643 (CHEMBL2326190) Show SMILES O=C(Nc1cccnn1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C17H17N7OS/c25-16(19-14-7-4-8-18-21-14)23-9-11-24(12-10-23)17-20-15(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426644 (CHEMBL2326195) Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2cccc(F)c2)c1C Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-6-8-25(9-7-24)18-21-16(23-28-18)13-4-3-5-14(19)10-13/h3-5,10H,6-9H2,1-2H3,(H,20,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426643 (CHEMBL2326190) Show SMILES O=C(Nc1cccnn1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C17H17N7OS/c25-16(19-14-7-4-8-18-21-14)23-9-11-24(12-10-23)17-20-15(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030574 (7-Methyl-8-oxo-5-p-tolyl-7,8-dihydro-[1,7]naphthyr...) Show SMILES CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C25H21Cl2N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-28-22(20)24(31)30(3)23(21)25(32)29(2)14-16-11-18(26)13-19(27)12-16/h4-13H,14H2,1-3H3	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030591 (6-Chloro-2-methyl-1-oxo-4-phenyl-1,2-dihydro-isoqu...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1C Show InChI InChI=1S/C27H19ClF6N2O2/c1-35(14-15-10-17(26(29,30)31)12-18(11-15)27(32,33)34)25(38)23-22(16-6-4-3-5-7-16)21-13-19(28)8-9-20(21)24(37)36(23)2/h3-13H,14H2,1-2H3	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426641 (CHEMBL2326181) Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50244993 (4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...) Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of FAAH (unknown origin)				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030569 (1-(2-Chloro-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-...) Show SMILES CN(Cc1ccccc1Cl)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C27H26ClN3O2/c1-17-14-21-22(15-18(17)2)26(32)31(4)25(24(21)19-10-6-5-7-11-19)29-27(33)30(3)16-20-12-8-9-13-23(20)28/h5-15H,16H2,1-4H3,(H,29,33)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030582 (7-Methyl-8-oxo-5-p-tolyl-7,8-dihydro-[1,7]naphthyr...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccc(C)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C27H27N3O2/c1-17-8-10-21(11-9-17)23-22-7-6-12-28-24(22)26(31)30(5)25(23)27(32)29(4)16-20-14-18(2)13-19(3)15-20/h6-15H,16H2,1-5H3	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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50426642 (CHEMBL459152) Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C20H18N6O2S/c27-19(21-18-15-8-4-5-9-16(15)28-23-18)25-10-12-26(13-11-25)20-22-17(24-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030585 (5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,...) Show SMILES CN(Cc1cc(C)cc(C)c1)C(=O)c1c(-c2ccc(F)cc2)c2cccnc2c(=O)n1C Show InChI InChI=1S/C26H24FN3O2/c1-16-12-17(2)14-18(13-16)15-29(3)26(32)24-22(19-7-9-20(27)10-8-19)21-6-5-11-28-23(21)25(31)30(24)4/h5-14H,15H2,1-4H3	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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426642 (CHEMBL459152) Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C20H18N6O2S/c27-19(21-18-15-8-4-5-9-16(15)28-23-18)25-10-12-26(13-11-25)20-22-17(24-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50426641 (CHEMBL2326181) Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030594 (2,6,7-Trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquin...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C29H24F6N2O2/c1-16-10-22-23(11-17(16)2)26(38)37(4)25(24(22)19-8-6-5-7-9-19)27(39)36(3)15-18-12-20(28(30,31)32)14-21(13-18)29(33,34)35/h5-14H,15H2,1-4H3	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	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50244718 (CHEMBL460273 | JNJ-1661010 | N-phenyl-4-(3-phenyl-...) Show SMILES O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM26736 (CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...) Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of FAAH (unknown origin)				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030604 (3-[(2-Methoxy-benzylamino)-methyl]-2,6,7-trimethyl...) Show SMILES COc1ccccc1CNCc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C27H28N2O2/c1-18-14-22-23(15-19(18)2)27(30)29(3)24(26(22)20-10-6-5-7-11-20)17-28-16-21-12-8-9-13-25(21)31-4/h5-15,28H,16-17H2,1-4H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030583 (1-Benzyl-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-pheny...) Show SMILES CN(Cc1ccccc1)C(=O)Nc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C Show InChI InChI=1S/C27H27N3O2/c1-18-15-22-23(16-19(18)2)26(31)30(4)25(24(22)21-13-9-6-10-14-21)28-27(32)29(3)17-20-11-7-5-8-12-20/h5-16H,17H2,1-4H3,(H,28,32)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030571 (2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-...) Show SMILES COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C |(12.42,-17.53,;13.77,-16.78,;13.77,-15.24,;15.1,-14.47,;15.12,-12.93,;13.77,-12.16,;12.44,-12.93,;12.44,-14.45,;11.11,-15.22,;9.78,-14.44,;9.78,-12.9,;8.43,-15.2,;8.43,-16.74,;7.12,-14.43,;5.77,-15.19,;5.76,-16.71,;7.09,-17.5,;7.08,-19.02,;5.75,-19.79,;4.42,-19.02,;4.42,-17.48,;3.09,-16.71,;4.44,-14.42,;3.13,-15.17,;1.8,-14.42,;1.8,-12.88,;3.13,-12.09,;4.44,-12.88,;5.79,-12.11,;5.79,-10.57,;7.12,-12.89,;8.45,-12.12,)| Show InChI InChI=1S/C27H26N2O3/c1-18-11-5-7-13-20(18)24-21-14-8-9-15-22(21)26(30)29(3)25(24)27(31)28(2)17-19-12-6-10-16-23(19)32-4/h5-16H,17H2,1-4H3	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells				J Med Chem 38: 3106-20 (1995) BindingDB Entry DOI: 10.7270/Q2ZS2VJH
					More data for this Ligand-Target Pair

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