Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'kaszubska' and Initial = 'w'   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant of the compound was determined against Protein-tyrosine phosphatase 1B (PTB1B)				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM13976 (Aminobenzoic acid analog 5 | CHEMBL116605) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant of compound against T cell protein tyrosine phosphatase was determined				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1CO Show InChI InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	920	-34.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13996 (4-amino-5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1N Show InChI InChI=1S/C21H18N2O7/c1-28-21(27)16-14(24)8-3-9-15(16)29-10-4-6-12-5-2-7-13(11-12)19-17(22)18(20(25)26)23-30-19/h2-9,11,24H,10,22H2,1H3,(H,25,26)/b6-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	-32.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50133280 (5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H17NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-9,11-12,23H,10H2,1H3,(H,24,25)/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against protein tyrosine phosphatase PTB1B				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13990 (5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	6.90E+3	-29.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13995 (12-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]p...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc2CCc3c(noc3-c2c1)C(O)=O Show InChI InChI=1S/C23H19NO7/c1-29-23(28)19-17(25)5-2-6-18(19)30-11-3-4-13-7-8-14-9-10-15-20(22(26)27)24-31-21(15)16(14)12-13/h2-8,12,25H,9-11H2,1H3,(H,26,27)/b4-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13997 (5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1CO Show InChI InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.92E+4	-26.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13994 (5-(3-{2-[3-hydroxy-2-(methoxycarbonyl)phenoxymethy...) Show SMILES COC(=O)c1c(O)cccc1OCC1CC1c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C22H19NO7/c1-28-22(27)20-17(24)6-3-7-18(20)29-11-14-9-15(14)12-4-2-5-13(8-12)19-10-16(21(25)26)23-30-19/h2-8,10,14-15,24H,9,11H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	-26.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13996 (4-amino-5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1N Show InChI InChI=1S/C21H18N2O7/c1-28-21(27)16-14(24)8-3-9-15(16)29-10-4-6-12-5-2-7-13(11-12)19-17(22)18(20(25)26)23-30-19/h2-9,11,24H,10,22H2,1H3,(H,25,26)/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	>-25.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13993 (5-[3-({2-[3-hydroxy-2-(methoxycarbonyl)phenoxy]eth...) Show SMILES COC(=O)c1c(O)cccc1OCCNc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C20H18N2O7/c1-27-20(26)18-15(23)6-3-7-16(18)28-9-8-21-13-5-2-4-12(10-13)17-11-14(19(24)25)22-29-17/h2-7,10-11,21,23H,8-9H2,1H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.03E+4	-23.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13992 (5-(3-{2-hydroxy-3-[3-hydroxy-2-(methoxycarbonyl)ph...) Show SMILES COC(=O)c1c(O)cccc1OCC(O)Cc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H19NO8/c1-28-21(27)19-16(24)6-3-7-17(19)29-11-14(23)9-12-4-2-5-13(8-12)18-10-15(20(25)26)22-30-18/h2-8,10,14,23-24H,9,11H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.22E+5	-22.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50133279 (5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...) Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against protein tyrosine phosphatase PTB1B				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13990 (5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.64E+5	-21.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13990 (5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity of the compound was determined against T cell protein tyrosine phosphatase (TCPTP)				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50133280 (5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop...) Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H17NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-9,11-12,23H,10H2,1H3,(H,24,25)/b6-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant of compound against T cell protein tyrosine phosphatase was determined				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13991 (5-(3-{2-[3-hydroxy-2-(methoxycarbonyl)phenoxy]acet...) Show SMILES COC(=O)c1c(O)cccc1OCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C20H16N2O8/c1-28-20(27)18-14(23)6-3-7-15(18)29-10-17(24)21-12-5-2-4-11(8-12)16-9-13(19(25)26)22-30-16/h2-9,23H,10H2,1H3,(H,21,24)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.16E+5	-20.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				Bioorg Med Chem Lett 14: 5543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.063 BindingDB Entry DOI: 10.7270/Q2Z036D9
					More data for this Ligand-Target Pair				3D Structure (docked)
Receptor-type tyrosine-protein phosphatase alpha (Homo sapiens (Human))	BDBM50133279 (5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...) Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant of compound against T cell protein tyrosine phosphatase was determined				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19386 (2,4-diaminopyrimidine derivative, 8b | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-10-20(11-9-19)28-14-17-6-12-21(13-7-17)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	5.80	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19387 (2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19387 (2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1 Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	7.20	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181180 (CHEMBL377514 | N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(...) Show SMILES Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)c1 Show InChI InChI=1S/C30H34N6O3S/c1-19-14-20(2)16-22(15-19)18-34-27(37)13-12-26-28(29(31)36-30(32)35-26)23-6-8-24(9-7-23)33-17-21-4-10-25(11-5-21)40(3,38)39/h4-11,14-16,33H,12-13,17-18H2,1-3H3,(H,34,37)(H4,31,32,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181184 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((3-...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1nc(-[#7])nc(-[#7])c1-c1ccc(-[#7]-[#6]-c2ccc(cc2)S([#6])(=O)=O)cc1 Show InChI InChI=1S/C24H29N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-12,27H,13-15H2,1-3H3,(H4,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19403 (2,4-diaminopyrimidine derivative, 11a | 6-[(benzyl...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-6-17(7-9-19)14-28-20-10-12-21(13-11-20)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	16	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19388 (2,4-diaminopyrimidine derivative, 8d | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C26H24F3N5O3S/c27-26(28,29)38(35,36)21-12-6-17(7-13-21)14-32-20-10-8-19(9-11-20)23-22(33-25(31)34-24(23)30)16-37-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	85	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19389 (1-(4-{[(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimi...) Show SMILES CC(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1 Show InChI InChI=1S/C27H27N5O2/c1-18(33)21-9-7-19(8-10-21)15-30-23-13-11-22(12-14-23)25-24(31-27(29)32-26(25)28)17-34-16-20-5-3-2-4-6-20/h2-14,30H,15-17H2,1H3,(H4,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	10	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181214 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((4-...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H25FN6O2S/c1-35(33,34)21-12-2-16(3-13-21)14-29-19-8-4-17(5-9-19)23-22(31-25(28)32-24(23)27)15-30-20-10-6-18(26)7-11-20/h2-13,29-30H,14-15H2,1H3,(H4,27,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19390 (2,4-diaminopyrimidine derivative, 8f | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccnc(Cl)c2)cc1 Show InChI InChI=1S/C24H23ClN6O/c25-21-12-17(10-11-28-21)13-29-19-8-6-18(7-9-19)22-20(30-24(27)31-23(22)26)15-32-14-16-4-2-1-3-5-16/h1-12,29H,13-15H2,(H4,26,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	3.60	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181184 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((3-...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-c1nc(-[#7])nc(-[#7])c1-c1ccc(-[#7]-[#6]-c2ccc(cc2)S([#6])(=O)=O)cc1 Show InChI InChI=1S/C24H29N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-12,27H,13-15H2,1-3H3,(H4,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by FLIPR				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181191 (CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50158330 ((+/-)isobutyl 8-chloro-2-((4-(diethylamino)phenyl)...) Show SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(Cl)c3C2)NC(=O)OCC(C)C)cc1 Show InChI InChI=1S/C26H34ClN3O3/c1-5-30(6-2)21-12-10-20(11-13-21)28-24(31)26(29-25(32)33-17-18(3)4)15-14-19-8-7-9-23(27)22(19)16-26/h7-13,18H,5-6,14-17H2,1-4H3,(H,28,31)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity to GHSR				J Med Chem 47: 6655-7 (2004) Article DOI: 10.1021/jm0491750 BindingDB Entry DOI: 10.7270/Q237786M
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19377 (2,4-diaminopyrimidine derivative, 7c | 5-(4-{[(3,5...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(c(F)c2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H21F2N5O2S/c1-3-16-17(19(23)27-20(24)26-16)12-4-6-13(7-5-12)25-10-11-8-14(21)18(15(22)9-11)30(2,28)29/h4-9,25H,3,10H2,1-2H3,(H4,23,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	45	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181217 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((me...) Show SMILES CN(Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N6O2S/c1-32(21-6-4-3-5-7-21)17-23-24(25(27)31-26(28)30-23)19-10-12-20(13-11-19)29-16-18-8-14-22(15-9-18)35(2,33)34/h3-15,29H,16-17H2,1-2H3,(H4,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181182 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((fu...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccco2)cc1 Show InChI InChI=1S/C24H25N5O4S/c1-34(30,31)20-10-4-16(5-11-20)13-27-18-8-6-17(7-9-18)22-21(28-24(26)29-23(22)25)15-32-14-19-3-2-12-33-19/h2-12,27H,13-15H2,1H3,(H4,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19391 (2,4-diaminopyrimidine derivative, 8g | 4-{[(4-{2,4...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H24N6O/c27-14-18-6-8-19(9-7-18)15-30-22-12-10-21(11-13-22)24-23(31-26(29)32-25(24)28)17-33-16-20-4-2-1-3-5-20/h1-13,30H,15-17H2,(H4,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	19	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181201 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-(iso...) Show SMILES CC(C)CCOCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C24H31N5O3S/c1-16(2)12-13-32-15-21-22(23(25)29-24(26)28-21)18-6-8-19(9-7-18)27-14-17-4-10-20(11-5-17)33(3,30)31/h4-11,16,27H,12-15H2,1-3H3,(H4,25,26,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19392 (2,4-diaminopyrimidine derivative, 8h | 6-[(benzylo...) Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H24F3N5O/c27-26(28,29)20-10-6-17(7-11-20)14-32-21-12-8-19(9-13-21)23-22(33-25(31)34-24(23)30)16-35-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	97	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181180 (CHEMBL377514 | N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(...) Show SMILES Cc1cc(C)cc(CNC(=O)CCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)c1 Show InChI InChI=1S/C30H34N6O3S/c1-19-14-20(2)16-22(15-19)18-34-27(37)13-12-26-28(29(31)36-30(32)35-26)23-6-8-24(9-7-23)33-17-21-4-10-25(11-5-21)40(3,38)39/h4-11,14-16,33H,12-13,17-18H2,1-3H3,(H,34,37)(H4,31,32,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by FLIPR				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50153531 (3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...) Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2OCCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.75,-.96,;7.28,-.47,;6.14,-1.52,;6.45,-3.02,;7.92,-3.51,;4.67,-1.03,;4.35,.47,;2.88,.95,;1.75,-.05,;2.06,-1.59,;3.52,-2.05,;.29,.39,;-.86,-.63,;-.53,-2.15,;-2.33,-.17,;-2.8,1.31,;-1.91,2.54,;-2.54,3.94,;-1.63,5.2,;-2.26,6.6,;-1.35,7.82,;.17,7.66,;.8,6.28,;-.09,5.06,;-4.33,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-2.21,-3.38,;-.68,-3.38,;-2.21,-4.92,;-3.56,-5.7,;-4.89,-4.92,;-4.89,-3.38,;-6.22,-2.61,)| Show InChI InChI=1S/C26H35Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,17-18,22H,3-4,6,9-16H2,1-2H3,(H,29,32)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells				Bioorg Med Chem Lett 14: 5223-6 (2004) Article DOI: 10.1016/j.bmcl.2004.06.060 BindingDB Entry DOI: 10.7270/Q2Z60NJD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181229 (5-[4-(4-methanesulfonyl-benzylamino)-phenyl]-6-(5-...) Show SMILES Cc1ccc(COCc2nc(N)nc(N)c2-c2ccc(NCc3ccc(cc3)S(C)(=O)=O)cc2)o1 Show InChI InChI=1S/C25H27N5O4S/c1-16-3-10-20(34-16)14-33-15-22-23(24(26)30-25(27)29-22)18-6-8-19(9-7-18)28-13-17-4-11-21(12-5-17)35(2,31)32/h3-12,28H,13-15H2,1-2H3,(H4,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19409 (2,4-diaminopyrimidine derivative, 13 | 6-ethyl-5-(...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)N(C)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H25N5O2S/c1-4-18-19(20(22)25-21(23)24-18)15-7-9-16(10-8-15)26(2)13-14-5-11-17(12-6-14)29(3,27)28/h5-12H,4,13H2,1-3H3,(H4,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	32	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181225 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((be...) Show SMILES CN(Cc1ccccc1)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C27H30N6O2S/c1-33(17-20-6-4-3-5-7-20)18-24-25(26(28)32-27(29)31-24)21-10-12-22(13-11-21)30-16-19-8-14-23(15-9-19)36(2,34)35/h3-15,30H,16-18H2,1-2H3,(H4,28,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19407 (2,4-diaminopyrimidine derivative, 12a | 5-(3-chlor...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Cl)c1 Show InChI InChI=1S/C20H22ClN5O2S/c1-3-16-18(19(22)26-20(23)25-16)13-6-9-17(15(21)10-13)24-11-12-4-7-14(8-5-12)29(2,27)28/h4-10,24H,3,11H2,1-2H3,(H4,22,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	11	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181192 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-octy...) Show SMILES CCCCCCCCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C26H35N5O2S/c1-3-4-5-6-7-8-9-23-24(25(27)31-26(28)30-23)20-12-14-21(15-13-20)29-18-19-10-16-22(17-11-19)34(2,32)33/h10-17,29H,3-9,18H2,1-2H3,(H4,27,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181191 (CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by FLIPR				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181204 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-isop...) Show SMILES CC(C)c1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H25N5O2S/c1-13(2)19-18(20(22)26-21(23)25-19)15-6-8-16(9-7-15)24-12-14-4-10-17(11-5-14)29(3,27)28/h4-11,13,24H,12H2,1-3H3,(H4,22,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50181179 (5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-6-((ph...) Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CNc2ccccc2)cc1 Show InChI InChI=1S/C25H26N6O2S/c1-34(32,33)21-13-7-17(8-14-21)15-28-20-11-9-18(10-12-20)23-22(30-25(27)31-24(23)26)16-29-19-5-3-2-4-6-19/h2-14,28-29H,15-16H2,1H3,(H4,26,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human GHS receptor by binding assay				Bioorg Med Chem Lett 16: 1864-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.012 BindingDB Entry DOI: 10.7270/Q2610ZW2
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM19408 (2,4-diaminopyrimidine derivative, 12b | 5-(3-bromo...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Br)c1 Show InChI InChI=1S/C20H22BrN5O2S/c1-3-16-18(19(22)26-20(23)25-16)13-6-9-17(15(21)10-13)24-11-12-4-7-14(8-5-12)29(2,27)28/h4-10,24H,3,11H2,1-2H3,(H4,22,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	42	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing ...				J Med Chem 49: 2568-78 (2006) Article DOI: 10.1021/jm0510934 BindingDB Entry DOI: 10.7270/Q27W69G1
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50153534 (3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...) Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.52,-1.48,;6.98,-1.48,;6.6,,;6.98,1.49,;8.52,1.49,;5.05,,;4.29,-1.34,;2.74,-1.36,;1.96,-.03,;.42,-.05,;-.67,-1.15,;-.27,-2.64,;-2.14,-.75,;-2.54,.72,;-1.59,1.95,;-2.68,3.03,;-2.3,4.53,;-.81,4.94,;-.41,6.43,;-1.49,7.5,;-2.98,7.12,;-3.38,5.62,;-4.08,.81,;-4.62,-.63,;-3.42,-1.59,;-3.33,-3.13,;-1.98,-3.83,;-.48,-4.23,;-1.87,-5.39,;-3.17,-6.21,;-4.55,-5.51,;-4.64,-3.99,;-6.01,-3.3,;2.71,1.31,;4.25,1.32,)| Show InChI InChI=1S/C26H29Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-12,22H,3-4,6,13-16H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human growth hormone secretagogue receptor				Bioorg Med Chem Lett 15: 1201-4 (2005) Article DOI: 10.1016/j.bmcl.2004.11.075 BindingDB Entry DOI: 10.7270/Q24Q7THD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50153534 (3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...) Show SMILES CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)cc1 |(8.52,-1.48,;6.98,-1.48,;6.6,,;6.98,1.49,;8.52,1.49,;5.05,,;4.29,-1.34,;2.74,-1.36,;1.96,-.03,;.42,-.05,;-.67,-1.15,;-.27,-2.64,;-2.14,-.75,;-2.54,.72,;-1.59,1.95,;-2.68,3.03,;-2.3,4.53,;-.81,4.94,;-.41,6.43,;-1.49,7.5,;-2.98,7.12,;-3.38,5.62,;-4.08,.81,;-4.62,-.63,;-3.42,-1.59,;-3.33,-3.13,;-1.98,-3.83,;-.48,-4.23,;-1.87,-5.39,;-3.17,-6.21,;-4.55,-5.51,;-4.64,-3.99,;-6.01,-3.3,;2.71,1.31,;4.25,1.32,)| Show InChI InChI=1S/C26H29Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-12,22H,3-4,6,13-16H2,1-2H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-ghrelin from cloned human GHS-R expressed in CHO-K cells was determined (Kd of ghrelin is 0.4 nM)				Bioorg Med Chem Lett 14: 5223-6 (2004) Article DOI: 10.1016/j.bmcl.2004.06.060 BindingDB Entry DOI: 10.7270/Q2Z60NJD
					More data for this Ligand-Target Pair

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