Compile Data Set for Download or QSAR

Found 1062 hits with Last Name = 'tomita' and Initial = 'n'   

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
Androgen receptor (Homo sapiens (Human))	BDBM50366207 (CHEMBL1957612) Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)24(23-12)17-8-5-15(11-22)19(20)10-17/h3-8,10H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267928 (CHEMBL4066506) Show SMILES OCc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366208 (CHEMBL1957613) Show SMILES Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N3/c1-12-18(9-14-3-6-16(21)7-4-14)13(2)27(26-12)17-8-5-15(11-25)19(10-17)20(22,23)24/h3-8,10H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267930 (CHEMBL4104190) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5O2/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267945 (CHEMBL4094042) Show SMILES OCc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)15-6-5-14(27-28-15)17-30-29-16(11-32)33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322299 (CHEMBL1173643 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCNCC2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320821 (CHEMBL1163809 | N-(4-(3-(3-aminopropanamido)phenyl...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C26H20FN5O4/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320821 (CHEMBL1163809 | N-(4-(3-(3-aminopropanamido)phenyl...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C26H20FN5O4/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322292 (CHEMBL1171484 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES NCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C25H18FN5O4/c26-15-6-7-17(21(32)10-15)20-11-18(14-3-1-4-16(9-14)29-23(33)13-28)19(12-27)24(30-20)31-25(34)22-5-2-8-35-22/h1-11,32H,13,28H2,(H,29,33)(H,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322307 (CHEMBL1169901 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CNCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C27H22FN5O4/c1-30-10-9-25(35)31-18-5-2-4-16(12-18)20-14-22(19-8-7-17(28)13-23(19)34)32-26(21(20)15-29)33-27(36)24-6-3-11-37-24/h2-8,11-14,30,34H,9-10H2,1H3,(H,31,35)(H,32,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267929 (CHEMBL4086275) Show SMILES OCc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6N5O2/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)15-6-5-14(27-28-15)17-30-29-16(11-32)33-17/h1-6,32H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267946 (CHEMBL4075104) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC2(COc3ccccc23)C1 Show InChI InChI=1S/C18H17N5O3/c24-9-15-19-17(26-22-15)13-5-6-16(21-20-13)23-8-7-18(10-23)11-25-14-4-2-1-3-12(14)18/h1-6,24H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Inhibition of SCD1 (unknown origin)				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322300 (CHEMBL1173644 | N-{3-Cyano-4-[3-(1,4-diazepan-1-yl...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCCNCC2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C28H24FN5O3/c29-19-7-8-21(25(35)15-19)24-16-22(18-4-1-5-20(14-18)34-11-3-9-31-10-12-34)23(17-30)27(32-24)33-28(36)26-6-2-13-37-26/h1-2,4-8,13-16,31,35H,3,9-12H2,(H,32,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320810 (CHEMBL1165222 | N-(4-(3-(3-aminopropanamido)phenyl...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C26H20FN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320810 (CHEMBL1165222 | N-(4-(3-(3-aminopropanamido)phenyl...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C26H20FN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322309 (CHEMBL1170903 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r| Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320822 (CHEMBL1163736 | N-[4-{3-[(2-Aminoethyl)carbamoyl]p...) Show SMILES NCCNC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C26H20FN5O4/c27-17-6-7-18(22(33)12-17)21-13-19(15-3-1-4-16(11-15)25(34)30-9-8-28)20(14-29)24(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322313 (CHEMBL1170896 | rac-N-[3-Cyano-4-(3-{[3-(ethylamin...) Show SMILES CCNC(CC)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C30H28FN5O4/c1-3-20(33-4-2)15-28(38)34-21-8-5-7-18(13-21)23-16-25(22-11-10-19(31)14-26(22)37)35-29(24(23)17-32)36-30(39)27-9-6-12-40-27/h5-14,16,20,33,37H,3-4,15H2,1-2H3,(H,34,38)(H,35,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322293 (CHEMBL1170911 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CNCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C26H20FN5O4/c1-29-14-24(34)30-17-5-2-4-15(10-17)19-12-21(18-8-7-16(27)11-22(18)33)31-25(20(19)13-28)32-26(35)23-6-3-9-36-23/h2-12,29,33H,14H2,1H3,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267931 (CHEMBL4070522) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(C#N)c1ccc(cc1)S(F)(F)(F)(F)F Show InChI InChI=1S/C19H17F5N6O2S/c20-33(21,22,23,24)14-3-1-13(2-4-14)19(12-25)7-9-30(10-8-19)17-6-5-15(27-28-17)18-26-16(11-31)29-32-18/h1-6,31H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322319 (CHEMBL1170692 | rac-N-{3-Cyano-6-(4-fluoro-2-hydro...) Show SMILES CC(C)NC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C30H28FN5O4/c1-17(2)33-18(3)12-28(38)34-21-7-4-6-19(13-21)23-15-25(22-10-9-20(31)14-26(22)37)35-29(24(23)16-32)36-30(39)27-8-5-11-40-27/h4-11,13-15,17-18,33,37H,12H2,1-3H3,(H,34,38)(H,35,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322303 (CHEMBL1170870 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(CN3CCNCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C28H24FN5O3/c29-20-6-7-21(25(35)14-20)24-15-22(19-4-1-3-18(13-19)17-34-10-8-31-9-11-34)23(16-30)27(32-24)33-28(36)26-5-2-12-37-26/h1-7,12-15,31,35H,8-11,17H2,(H,32,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320811 (CHEMBL1163896 | N-{4-[3-(beta-Alanylamino)phenyl]-...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(Cl)cc1O Show InChI InChI=1S/C26H20ClN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322310 (CHEMBL1170904 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)C[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r| Show InChI InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322318 (CHEMBL1170685 | rac-N-[3-Cyano-4-(3-{[3-(ethylamin...) Show SMILES CCNC(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C29H26FN5O4/c1-3-32-17(2)12-27(37)33-20-7-4-6-18(13-20)22-15-24(21-10-9-19(30)14-25(21)36)34-28(23(22)16-31)35-29(38)26-8-5-11-39-26/h4-11,13-15,17,32,36H,3,12H2,1-2H3,(H,33,37)(H,34,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322316 (CHEMBL1170468 | N-[3-Cyano-4-{3-[(N-ethyl-N-methyl...) Show SMILES CCN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C29H26FN5O4/c1-3-35(2)12-11-27(37)32-20-7-4-6-18(14-20)22-16-24(21-10-9-19(30)15-25(21)36)33-28(23(22)17-31)34-29(38)26-8-5-13-39-26/h4-10,13-16,36H,3,11-12H2,1-2H3,(H,32,37)(H,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322308 (CHEMBL1169902 | N-[3-Cyano-4-{3-[(N,N-dimethyl-bet...) Show SMILES CN(C)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-26(36)31-19-6-3-5-17(13-19)21-15-23(20-9-8-18(29)14-24(20)35)32-27(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267933 (CHEMBL4092350) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(C#N)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H17F3N6O3/c21-20(22,23)31-14-3-1-13(2-4-14)19(12-24)7-9-29(10-8-19)17-6-5-15(26-27-17)18-25-16(11-30)28-32-18/h1-6,30H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322302 (CHEMBL1173008 | N-{3-Cyano-4-[3-(4-ethylpiperazin-...) Show SMILES CCN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C29H26FN5O3/c1-2-34-10-12-35(13-11-34)21-6-3-5-19(15-21)23-17-25(22-9-8-20(30)16-26(22)36)32-28(24(23)18-31)33-29(37)27-7-4-14-38-27/h3-9,14-17,36H,2,10-13H2,1H3,(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320823 (CHEMBL1165432 | N-[4-{3-[(3-Amino-2,2-dimethylprop...) Show SMILES CC(C)(CN)CNC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C29H26FN5O4/c1-29(2,15-32)16-33-27(37)18-6-3-5-17(11-18)21-13-23(20-9-8-19(30)12-24(20)36)34-26(22(21)14-31)35-28(38)25-7-4-10-39-25/h3-13,36H,15-16,32H2,1-2H3,(H,33,37)(H,34,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320813 (CHEMBL1163888 | N-{4-[3-(beta-Alanylamino)phenyl]-...) Show SMILES Cc1ccc(c(O)c1)-c1cc(-c2cccc(NC(=O)CCN)c2)c(C#N)c(NC(=O)c2cccs2)n1 Show InChI InChI=1S/C27H23N5O3S/c1-16-7-8-19(23(33)12-16)22-14-20(17-4-2-5-18(13-17)30-25(34)9-10-28)21(15-29)26(31-22)32-27(35)24-6-3-11-36-24/h2-8,11-14,33H,9-10,28H2,1H3,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322295 (CHEMBL1171977 | N-[3-Cyano-4-{3-[(N,N-dimethylglyc...) Show SMILES CN(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C27H22FN5O4/c1-33(2)15-25(35)30-18-6-3-5-16(11-18)20-13-22(19-9-8-17(28)12-23(19)34)31-26(21(20)14-29)32-27(36)24-7-4-10-37-24/h3-13,34H,15H2,1-2H3,(H,30,35)(H,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320815 (CHEMBL1165223 | N-(4-(3-(2-aminoethylcarbamoyl)phe...) Show SMILES NCCNC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C26H21N5O4/c27-10-11-29-25(33)17-6-3-5-16(13-17)19-14-21(18-7-1-2-8-22(18)32)30-24(20(19)15-28)31-26(34)23-9-4-12-35-23/h1-9,12-14,32H,10-11,27H2,(H,29,33)(H,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322289 (CHEMBL1171294 | rac-N-[3-Cyano-6-(4-fluoro-2-hydro...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CC3CCCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C30H26FN5O4/c31-19-9-10-22(26(37)14-19)25-16-23(24(17-32)29(35-25)36-30(39)27-8-4-12-40-27)18-5-3-7-21(13-18)34-28(38)15-20-6-1-2-11-33-20/h3-5,7-10,12-14,16,20,33,37H,1-2,6,11,15H2,(H,34,38)(H,35,36,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320818 (CHEMBL1163735 | N-(4-(3-(1-amino-2-methylpropan-2-...) Show SMILES CC(C)(CN)NC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccccc1O Show InChI InChI=1S/C28H25N5O4/c1-28(2,16-30)33-26(35)18-8-5-7-17(13-18)20-14-22(19-9-3-4-10-23(19)34)31-25(21(20)15-29)32-27(36)24-11-6-12-37-24/h3-14,34H,16,30H2,1-2H3,(H,33,35)(H,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267936 (CHEMBL4074320) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C19H17ClN6O2/c20-14-3-1-2-13(10-14)19(12-21)6-8-26(9-7-19)17-5-4-15(23-24-17)18-22-16(11-27)25-28-18/h1-5,10,27H,6-9,11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
KiSS-1 receptor (Rattus norvegicus)	BDBM50322299 (CHEMBL1173643 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(c2)N2CCNCC2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C27H22FN5O3/c28-18-6-7-20(24(34)14-18)23-15-21(17-3-1-4-19(13-17)33-10-8-30-9-11-33)22(16-29)26(31-23)32-27(35)25-5-2-12-36-25/h1-7,12-15,30,34H,8-11H2,(H,31,32,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322301 (CHEMBL1172940 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C28H24FN5O3/c1-33-9-11-34(12-10-33)20-5-2-4-18(14-20)22-16-24(21-8-7-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-6-3-13-37-26/h2-8,13-16,35H,9-12H2,1H3,(H,31,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322297 (CHEMBL1171296 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)CN3CCCCC3)c2)c(C#N)c(NC(=O)c2ccco2)n1 Show InChI InChI=1S/C30H26FN5O4/c31-20-9-10-22(26(37)15-20)25-16-23(24(17-32)29(34-25)35-30(39)27-8-5-13-40-27)19-6-4-7-21(14-19)33-28(38)18-36-11-2-1-3-12-36/h4-10,13-16,37H,1-3,11-12,18H2,(H,33,38)(H,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322317 (CHEMBL1170684 | N-[3-Cyano-4-{3-[(N,N-diethyl-beta...) Show SMILES CCN(CC)CCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C30H28FN5O4/c1-3-36(4-2)13-12-28(38)33-21-8-5-7-19(15-21)23-17-25(22-11-10-20(31)16-26(22)37)34-29(24(23)18-32)35-30(39)27-9-6-14-40-27/h5-11,14-17,37H,3-4,12-13H2,1-2H3,(H,33,38)(H,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322294 (CHEMBL1171102 | N-(3-{3-Cyano-6-(4-fluoro-2-hydrox...) Show SMILES Oc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3)c2)c(C#N)c(NC(=O)c2ccco2)n1 |r| Show InChI InChI=1S/C28H22FN5O4/c29-17-8-9-19(24(35)13-17)23-14-20(21(15-30)26(33-23)34-28(37)25-7-3-11-38-25)16-4-1-5-18(12-16)32-27(36)22-6-2-10-31-22/h1,3-5,7-9,11-14,22,31,35H,2,6,10H2,(H,32,36)(H,33,34,37)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50366216 (CHEMBL1957621) Show SMILES Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1 Show InChI InChI=1S/C20H17ClN4O/c1-12-18(9-14-3-5-15(6-4-14)20(23)26)13(2)25(24-12)17-8-7-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs				Bioorg Med Chem 20: 2338-52 (2012) Article DOI: 10.1016/j.bmc.2012.02.005 BindingDB Entry DOI: 10.7270/Q2H995PT
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322312 (CHEMBL1170895 | rac-N-[3-Cyano-4-(3-{[3-(diethylam...) Show SMILES CCN(CC)C(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C31H30FN5O4/c1-4-37(5-2)19(3)14-29(39)34-22-9-6-8-20(15-22)24-17-26(23-12-11-21(32)16-27(23)38)35-30(25(24)18-33)36-31(40)28-10-7-13-41-28/h6-13,15-17,19,38H,4-5,14H2,1-3H3,(H,34,39)(H,35,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322290 (CHEMBL1171097 | N-{3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CN1CCC[C@H]1CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O |r| Show InChI InChI=1S/C30H26FN5O4/c1-36-11-3-7-21(36)15-28(38)33-20-6-2-5-18(13-20)23-16-25(22-10-9-19(31)14-26(22)37)34-29(24(23)17-32)35-30(39)27-8-4-12-40-27/h2,4-6,8-10,12-14,16,21,37H,3,7,11,15H2,1H3,(H,33,38)(H,34,35,39)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322305 (CHEMBL1173438 | N-[3-Cyano-6-(4-fluoro-2-hydroxyph...) Show SMILES CN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1 Show InChI InChI=1S/C29H26FN5O3/c1-34-9-11-35(12-10-34)18-19-4-2-5-20(14-19)23-16-25(22-8-7-21(30)15-26(22)36)32-28(24(23)17-31)33-29(37)27-6-3-13-38-27/h2-8,13-16,36H,9-12,18H2,1H3,(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322311 (CHEMBL1170894 | rac-N-[3-Cyano-4-(3-{[3-(dimethyla...) Show SMILES CC(CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O)N(C)C Show InChI InChI=1S/C29H26FN5O4/c1-17(35(2)3)12-27(37)32-20-7-4-6-18(13-20)22-15-24(21-10-9-19(30)14-25(21)36)33-28(23(22)16-31)34-29(38)26-8-5-11-39-26/h4-11,13-15,17,36H,12H2,1-3H3,(H,32,37)(H,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50320812 (CHEMBL1163897 | N-{4-[3-(beta-Alanylamino)phenyl]-...) Show SMILES NCCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccc(Br)cc1O Show InChI InChI=1S/C26H20BrN5O3S/c27-16-6-7-18(22(33)12-16)21-13-19(15-3-1-4-17(11-15)30-24(34)8-9-28)20(14-29)25(31-21)32-26(35)23-5-2-10-36-23/h1-7,10-13,33H,8-9,28H2,(H,30,34)(H,31,32,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 18: 3841-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.036 BindingDB Entry DOI: 10.7270/Q22807S6
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322291 (CHEMBL1171483 | N-[3-Cyano-4-(3-{[2-(dimethylamino...) Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O Show InChI InChI=1S/C28H24FN5O4/c1-34(2)11-10-31-27(36)18-6-3-5-17(13-18)21-15-23(20-9-8-19(29)14-24(20)35)32-26(22(21)16-30)33-28(37)25-7-4-12-38-25/h3-9,12-15,35H,10-11H2,1-2H3,(H,31,36)(H,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50267934 (CHEMBL4082092) Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(C#N)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN6O2/c20-14-3-1-13(2-4-14)19(12-21)7-9-26(10-8-19)17-6-5-15(23-24-17)18-22-16(11-27)25-28-18/h1-6,27H,7-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com. Curated by ChEMBL					Assay Description Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...				Bioorg Med Chem 25: 3768-3779 (2017) Article DOI: 10.1016/j.bmc.2017.05.016 BindingDB Entry DOI: 10.7270/Q2Z60RJN
					More data for this Ligand-Target Pair
KiSS-1 receptor (Homo sapiens (Human))	BDBM50322306 (CHEMBL1173512 | N-[3-Cyano-4-{3-[(4-ethylpiperazin...) Show SMILES CCN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1 Show InChI InChI=1S/C30H28FN5O3/c1-2-35-10-12-36(13-11-35)19-20-5-3-6-21(15-20)24-17-26(23-9-8-22(31)16-27(23)37)33-29(25(24)18-32)34-30(38)28-7-4-14-39-28/h3-9,14-17,37H,2,10-13,19H2,1H3,(H,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells				Bioorg Med Chem 18: 5157-71 (2010) Article DOI: 10.1016/j.bmc.2010.05.061 BindingDB Entry DOI: 10.7270/Q21R6RHM
					More data for this Ligand-Target Pair

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