Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50044614   

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
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022147 (CHEMBL3299117) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc(OCCc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C23H21F3N2O3/c24-23(25,26)19-7-1-4-16(14-19)10-13-31-21-9-3-8-20(28-21)17-5-2-6-18(15-17)22(30)27-11-12-29/h1-9,14-15,29H,10-13H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	646	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at GPR52 (unknown origin)				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022254 (CHEMBL3298234) Show SMILES NC(=O)CNC(=O)c1cccc(c1)-c1ccc(F)c2cc(Cc3cccc(c3)C(F)(F)F)sc12 Show InChI InChI=1S/C25H18F4N2O2S/c26-21-8-7-19(15-4-2-5-16(11-15)24(33)31-13-22(30)32)23-20(21)12-18(34-23)10-14-3-1-6-17(9-14)25(27,28)29/h1-9,11-12H,10,13H2,(H2,30,32)(H,31,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022152 (CHEMBL3299018) Show SMILES COc1ccc(cc1)-c1ccnc(NCCc2ccc(OC)c(OC)c2C)n1 Show InChI InChI=1S/C22H25N3O3/c1-15-16(7-10-20(27-3)21(15)28-4)11-13-23-22-24-14-12-19(25-22)17-5-8-18(26-2)9-6-17/h5-10,12,14H,11,13H2,1-4H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022153 (CHEMBL3299119) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2oc(Cc3cccc(c3)C(F)(F)F)cc12 Show InChI InChI=1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022156 (CHEMBL3299120) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)oc12 Show InChI InChI=1S/C25H20F3NO3/c26-25(27,28)20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)32-21)17-5-2-7-19(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022157 (CHEMBL3299121) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2sc(Cc3cccc(c3)C(F)(F)F)cc12 Show InChI InChI=1S/C25H20F3NO2S/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022158 (CHEMBL3299122) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12 Show InChI InChI=1S/C25H20F3NO2S/c26-25(27,28)20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)32-21)17-5-2-7-19(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022159 (CHEMBL3299123) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2nn(Cc3cccc(c3)C(F)(F)F)cc12 Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)14-30-15-21-20(8-3-9-22(21)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022162 (CHEMBL3299124) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2cn(Cc3cccc(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C24H20F3N3O2/c25-24(26,27)20-8-1-4-16(12-20)14-30-15-19-7-3-9-21(22(19)29-30)17-5-2-6-18(13-17)23(32)28-10-11-31/h1-9,12-13,15,31H,10-11,14H2,(H,28,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022164 (CHEMBL3299125) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2OC(Cc3cccc(c3)C(F)(F)F)Cc12 Show InChI InChI=1S/C25H22F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14,20,30H,10-11,13,15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	646	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022165 (CHEMBL3297807) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc2CC(Cc3cccc(c3)C(F)(F)F)Oc12 Show InChI InChI=1S/C25H22F3NO3/c26-25(27,28)20-8-1-4-16(12-20)13-21-15-18-6-3-9-22(23(18)32-21)17-5-2-7-19(14-17)24(31)29-10-11-30/h1-9,12,14,21,30H,10-11,13,15H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	209	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022166 (CHEMBL3297808) Show SMILES Cc1c(Cc2cccc(c2)C(F)(F)F)oc2cccc(-c3cccc(c3)C(=O)NCCO)c12 Show InChI InChI=1S/C26H22F3NO3/c1-16-23(14-17-5-2-8-20(13-17)26(27,28)29)33-22-10-4-9-21(24(16)22)18-6-3-7-19(15-18)25(32)30-11-12-31/h2-10,13,15,31H,11-12,14H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022169 (CHEMBL3297809) Show SMILES Cc1c(Cc2cccc(c2)C(F)(F)F)oc2c(cccc12)-c1cccc(c1)C(=O)NCCO Show InChI InChI=1S/C26H22F3NO3/c1-16-21-9-4-10-22(18-6-3-7-19(15-18)25(32)30-11-12-31)24(21)33-23(16)14-17-5-2-8-20(13-17)26(27,28)29/h2-10,13,15,31H,11-12,14H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022170 (CHEMBL3297810) Show SMILES NC(=O)CNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12 Show InChI InChI=1S/C25H19F3N2O2S/c26-25(27,28)19-8-1-4-15(10-19)11-20-13-17-6-3-9-21(23(17)33-20)16-5-2-7-18(12-16)24(32)30-14-22(29)31/h1-10,12-13H,11,14H2,(H2,29,31)(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022189 (CHEMBL3297811) Show SMILES COCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12 Show InChI InChI=1S/C26H22F3NO2S/c1-32-12-11-30-25(31)20-8-3-6-18(15-20)23-10-4-7-19-16-22(33-24(19)23)14-17-5-2-9-21(13-17)26(27,28)29/h2-10,13,15-16H,11-12,14H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022190 (CHEMBL3298233) Show SMILES COCCNC(=O)c1cccc(c1)-c1cccc2cc(Cc3cc(F)cc(Cl)c3)sc12 Show InChI InChI=1S/C25H21ClFNO2S/c1-30-9-8-28-25(29)19-6-2-4-17(13-19)23-7-3-5-18-14-22(31-24(18)23)12-16-10-20(26)15-21(27)11-16/h2-7,10-11,13-15H,8-9,12H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair
G-protein coupled receptor 52 (Homo sapiens (Human))	BDBM50022151 (CHEMBL3299118) Show SMILES OCCNC(=O)c1cccc(c1)-c1cccc(OCCc2cc(F)cc(Cl)c2)n1 Show InChI InChI=1S/C22H20ClFN2O3/c23-18-11-15(12-19(24)14-18)7-10-29-21-6-2-5-20(26-21)16-3-1-4-17(13-16)22(28)25-8-9-27/h1-6,11-14,27H,7-10H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	347	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonist activity at GPR52 (unknown origin)				J Med Chem 57: 5226-37 (2014) Article DOI: 10.1021/jm5002919 BindingDB Entry DOI: 10.7270/Q2CR5VZD
					More data for this Ligand-Target Pair