Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'jellesmark jensen' and Initial = 't'   

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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544341 (CHEMBL4647797) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544341 (CHEMBL4647797) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544340 (CHEMBL4637980) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544340 (CHEMBL4637980) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544349 (CHEMBL4636571) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-16-5-6-21-18(11-16)13-22(28-21)25(33)29-23-15-31(14-20(23)24(32)27-9-10-30(3)4)36(34,35)19-7-8-26-17(2)12-19/h5-8,11-13,20,23,28H,9-10,14-15H2,1-4H3,(H,27,32)(H,29,33)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544352 (CHEMBL4640615) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-17-6-7-21-18(13-17)14-23(28-21)25(33)29-22-8-11-31(36(34,35)19-5-4-9-26-15-19)16-20(22)24(32)27-10-12-30(2)3/h4-7,9,13-15,20,22,28H,8,10-12,16H2,1-3H3,(H,27,32)(H,29,33)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544346 (CHEMBL4645148) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-16-6-7-20-17(11-16)12-21(27-20)24(32)28-22-15-30(35(33,34)18-5-4-8-25-13-18)14-19(22)23(31)26-9-10-29(2)3/h4-8,11-13,19,22,27H,9-10,14-15H2,1-3H3,(H,26,31)(H,28,32)/t19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544346 (CHEMBL4645148) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-16-6-7-20-17(11-16)12-21(27-20)24(32)28-22-15-30(35(33,34)18-5-4-8-25-13-18)14-19(22)23(31)26-9-10-29(2)3/h4-8,11-13,19,22,27H,9-10,14-15H2,1-3H3,(H,26,31)(H,28,32)/t19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544349 (CHEMBL4636571) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-16-5-6-21-18(11-16)13-22(28-21)25(33)29-23-15-31(14-20(23)24(32)27-9-10-30(3)4)36(34,35)19-7-8-26-17(2)12-19/h5-8,11-13,20,23,28H,9-10,14-15H2,1-4H3,(H,27,32)(H,29,33)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544352 (CHEMBL4640615) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C25H32N6O4S/c1-17-6-7-21-18(13-17)14-23(28-21)25(33)29-22-8-11-31(36(34,35)19-5-4-9-26-15-19)16-20(22)24(32)27-10-12-30(2)3/h4-7,9,13-15,20,22,28H,8,10-12,16H2,1-3H3,(H,27,32)(H,29,33)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544350 (CHEMBL4645625) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cn(C)nc1C |r| Show InChI InChI=1S/C24H33N7O4S/c1-15-6-7-19-17(10-15)11-20(26-19)24(33)27-21-13-31(12-18(21)23(32)25-8-9-29(3)4)36(34,35)22-14-30(5)28-16(22)2/h6-7,10-11,14,18,21,26H,8-9,12-13H2,1-5H3,(H,25,32)(H,27,33)/t18-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544350 (CHEMBL4645625) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cn(C)nc1C |r| Show InChI InChI=1S/C24H33N7O4S/c1-15-6-7-19-17(10-15)11-20(26-19)24(33)27-21-13-31(12-18(21)23(32)25-8-9-29(3)4)36(34,35)22-14-30(5)28-16(22)2/h6-7,10-11,14,18,21,26H,8-9,12-13H2,1-5H3,(H,25,32)(H,27,33)/t18-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544348 (CHEMBL4637284) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cnccn1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-18-16(10-15)11-19(27-18)23(32)28-20-14-30(35(33,34)21-12-24-6-7-25-21)13-17(20)22(31)26-8-9-29(2)3/h4-7,10-12,17,20,27H,8-9,13-14H2,1-3H3,(H,26,31)(H,28,32)/t17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544348 (CHEMBL4637284) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1cnccn1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-18-16(10-15)11-19(27-18)23(32)28-20-14-30(35(33,34)21-12-24-6-7-25-21)13-17(20)22(31)26-8-9-29(2)3/h4-7,10-12,17,20,27H,8-9,13-14H2,1-3H3,(H,26,31)(H,28,32)/t17-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544347 (CHEMBL4633695) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnnc1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-19-16(10-15)11-20(27-19)23(32)28-21-14-30(35(33,34)17-6-7-25-26-12-17)13-18(21)22(31)24-8-9-29(2)3/h4-7,10-12,18,21,27H,8-9,13-14H2,1-3H3,(H,24,31)(H,28,32)/t18-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544353 (CHEMBL4649860) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C23H33N5O4S/c1-15-4-7-19-16(12-15)13-21(25-19)23(30)26-20-8-10-28(33(31,32)17-5-6-17)14-18(20)22(29)24-9-11-27(2)3/h4,7,12-13,17-18,20,25H,5-6,8-11,14H2,1-3H3,(H,24,29)(H,26,30)/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544347 (CHEMBL4633695) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccnnc1 |r| Show InChI InChI=1S/C23H29N7O4S/c1-15-4-5-19-16(10-15)11-20(27-19)23(32)28-21-14-30(35(33,34)17-6-7-25-26-12-17)13-18(21)22(31)24-8-9-29(2)3/h4-7,10-12,18,21,27H,8-9,13-14H2,1-3H3,(H,24,31)(H,28,32)/t18-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544353 (CHEMBL4649860) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C23H33N5O4S/c1-15-4-7-19-16(12-15)13-21(25-19)23(30)26-20-8-10-28(33(31,32)17-5-6-17)14-18(20)22(29)24-9-11-27(2)3/h4,7,12-13,17-18,20,25H,5-6,8-11,14H2,1-3H3,(H,24,29)(H,26,30)/t18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544354 (CHEMBL4633062) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H36N6O5S/c1-17-4-5-20-18(14-17)15-22(26-20)24(32)27-21-6-8-30(36(33,34)29-10-12-35-13-11-29)16-19(21)23(31)25-7-9-28(2)3/h4-5,14-15,19,21,26H,6-13,16H2,1-3H3,(H,25,31)(H,27,32)/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544354 (CHEMBL4633062) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C24H36N6O5S/c1-17-4-5-20-18(14-17)15-22(26-20)24(32)27-21-6-8-30(36(33,34)29-10-12-35-13-11-29)16-19(21)23(31)25-7-9-28(2)3/h4-5,14-15,19,21,26H,6-13,16H2,1-3H3,(H,25,31)(H,27,32)/t19-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544355 (CHEMBL4641201) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)N(C)C |r| Show InChI InChI=1S/C22H34N6O4S/c1-15-6-7-18-16(12-15)13-20(24-18)22(30)25-19-8-10-28(33(31,32)27(4)5)14-17(19)21(29)23-9-11-26(2)3/h6-7,12-13,17,19,24H,8-11,14H2,1-5H3,(H,23,29)(H,25,30)/t17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544351 (CHEMBL4639514) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)C1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O5S/c1-16-4-5-20-17(12-16)13-21(26-20)24(31)27-22-15-29(35(32,33)18-6-10-34-11-7-18)14-19(22)23(30)25-8-9-28(2)3/h4-5,12-13,18-19,22,26H,6-11,14-15H2,1-3H3,(H,25,30)(H,27,31)/t19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544355 (CHEMBL4641201) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)N(C)C |r| Show InChI InChI=1S/C22H34N6O4S/c1-15-6-7-18-16(12-15)13-20(24-18)22(30)25-19-8-10-28(33(31,32)27(4)5)14-17(19)21(29)23-9-11-26(2)3/h6-7,12-13,17,19,24H,8-11,14H2,1-5H3,(H,23,29)(H,25,30)/t17-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human MOR measured after 120 mins by scintillation counting analysis				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544351 (CHEMBL4639514) Show SMILES CN(C)CCNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)C1CCOCC1 |r| Show InChI InChI=1S/C24H35N5O5S/c1-16-4-5-20-17(12-16)13-21(26-20)24(31)27-22-15-29(35(32,33)18-6-10-34-11-7-18)14-19(22)23(30)25-8-9-28(2)3/h4-5,12-13,18-19,22,26H,6-11,14-15H2,1-3H3,(H,25,30)(H,27,31)/t19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544342 (CHEMBL4648355) Show SMILES CN(C)CCNC(=O)[C@@H]1CN(C[C@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544342 (CHEMBL4648355) Show SMILES CN(C)CCNC(=O)[C@@H]1CN(C[C@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544345 (CHEMBL4645072) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	249	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544345 (CHEMBL4645072) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human MOR measured after 120 mins by scintillation counting analysis				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) measured after 60 mins by scintillation counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544343 (CHEMBL4641472) Show SMILES CN(C)CCNC(=O)[C@@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544356 (CHEMBL4641386) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)C(=O)c1cccnc1 |r| Show InChI InChI=1S/C26H32N6O3/c1-17-6-7-21-19(13-17)14-23(29-21)25(34)30-22-8-11-32(26(35)18-5-4-9-27-15-18)16-20(22)24(33)28-10-12-31(2)3/h4-7,9,13-15,20,22,29H,8,10-12,16H2,1-3H3,(H,28,33)(H,30,34)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50544372 (CHEMBL4640438) Show SMILES O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H29N5O5S/c32-25(28-19-10-7-13-27-15-19)21-16-31(37(34,35)20-11-5-2-6-12-20)17-23(21)29-26(33)22-14-24(36-30-22)18-8-3-1-4-9-18/h1-6,8-9,11-12,14,19,21,23,27H,7,10,13,15-17H2,(H,28,32)(H,29,33)/t19-,21-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human MOR measured after 120 mins by scintillation counting analysis				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544343 (CHEMBL4641472) Show SMILES CN(C)CCNC(=O)[C@@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4S/c1-17-9-10-21-18(13-17)14-22(27-21)25(32)28-23-16-30(35(33,34)19-7-5-4-6-8-19)15-20(23)24(31)26-11-12-29(2)3/h4-10,13-14,20,23,27H,11-12,15-16H2,1-3H3,(H,26,31)(H,28,32)/t20-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544356 (CHEMBL4641386) Show SMILES CN(C)CCNC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)C(=O)c1cccnc1 |r| Show InChI InChI=1S/C26H32N6O3/c1-17-6-7-21-19(13-17)14-23(29-21)25(34)30-22-8-11-32(26(35)18-5-4-9-27-15-18)16-20(22)24(33)28-10-12-31(2)3/h4-7,9,13-15,20,22,29H,8,10-12,16H2,1-3H3,(H,28,33)(H,30,34)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	503	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) measured after 60 mins by scintillation counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50544372 (CHEMBL4640438) Show SMILES O=C(N[C@H]1CCCNC1)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H29N5O5S/c32-25(28-19-10-7-13-27-15-19)21-16-31(37(34,35)20-11-5-2-6-12-20)17-23(21)29-26(33)22-14-24(36-30-22)18-8-3-1-4-9-18/h1-6,8-9,11-12,14,19,21,23,27H,7,10,13,15-17H2,(H,28,32)(H,29,33)/t19-,21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from KOR (unknown origin) measured after 60 mins by scintillation counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544344 (CHEMBL4648076) Show SMILES CN(C)CCNC(=O)[C@@H]1CN(CC[C@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50544344 (CHEMBL4648076) Show SMILES CN(C)CCNC(=O)[C@@H]1CN(CC[C@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H33N5O4S/c1-18-9-10-22-19(15-18)16-24(28-22)26(33)29-23-11-13-31(36(34,35)20-7-5-4-6-8-20)17-21(23)25(32)27-12-14-30(2)3/h4-10,15-16,21,23,28H,11-14,17H2,1-3H3,(H,27,32)(H,29,33)/t21-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at rat KOR expressed in CHOK1 cells assessed as inhibition of U50488-induced increase in cAMP accumulation measured after 10 mins...				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50544366 (CHEMBL4647963) Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50544339 (CHEMBL4639379) Show SMILES CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r| Show InChI InChI=1S/C24H28N4O2/c1-15-8-9-19-17(12-15)14-21(26-19)23(29)27-20-13-16-6-4-5-7-18(16)22(20)24(30)25-10-11-28(2)3/h4-9,12,14,20,22,26H,10-11,13H2,1-3H3,(H,25,30)(H,27,29)/t20-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at rat KOR expressed in CHOK1 cells assessed as inhibition of U50488-induced increase in cAMP accumulation measured after 10 mins...				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50544378 (CHEMBL4639111) Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of DAMGO-induced increase in cAMP accumulation measured after 10 min...				J Med Chem 63: 9705-9730 (2020) Article DOI: 10.1021/acs.jmedchem.0c00828 BindingDB Entry DOI: 10.7270/Q2445R3K
					More data for this Ligand-Target Pair

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