BDBM50049478 1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium::1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide::1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide [3a(MK-0677)]::1N-[1-benzyloxymethyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-2-methylpropanamide(MK-0677)::CHEMBL13817::MK 0677::MK-0677::MK-677

SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1

InChI Key: InChIKey=UMUPQWIGCOZEOY-JOCHJYFZSA-N

Data: 8 KI  8 IC50  1 Kd  5 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50049478   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligand				J Med Chem 39: 1767-70 (1996) Article DOI: 10.1021/jm960054c BindingDB Entry DOI: 10.7270/Q2BK1BDG
					More data for this Ligand-Target Pair				3D Structure (crystal)
GHS-R1a:GHS-R1aE124Q (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
GHS-R1a:GHS-R1b (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
GHS-R1a:GHS-R1a (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	65.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
GHS-R1a:GHS-R1a (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	68.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
GHS-R1a:GHS-R1aE124Q (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	68.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
GHS-R1a:GHS-R1b (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	90.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier 1					Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...				J Biol Chem 288: 24656-65 (2013) Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Agonist activity at human GHS-R1				Bioorg Med Chem 15: 3054-64 (2007) Article DOI: 10.1016/j.bmc.2007.01.057 BindingDB Entry DOI: 10.7270/Q25M66HV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier I et II Curated by ChEMBL					Assay Description Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand				J Med Chem 46: 1191-203 (2003) Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier I et II Curated by ChEMBL					Assay Description Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand				J Med Chem 46: 1191-203 (2003) Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) receptor expressed in COS-7 cells				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor				Bioorg Med Chem Lett 10: 5-8 (2000) BindingDB Entry DOI: 10.7270/Q2DV1KDR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of the compound against human growth hormone secretagogue (GHS) receptor				J Med Chem 47: 888-99 (2004) Article DOI: 10.1021/jm0309452 BindingDB Entry DOI: 10.7270/Q2SN08D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay				J Med Chem 61: 5974-5987 (2018) Article DOI: 10.1021/acs.jmedchem.8b00322 BindingDB Entry DOI: 10.7270/Q2WD433X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity using [35S]-MK-0677 (800-1100 Ci/mmol), as radioligand having specific high activity				J Med Chem 41: 3103-27 (1998) Article DOI: 10.1021/jm970342o BindingDB Entry DOI: 10.7270/Q2D799KH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor (Homo sapiens (Human))	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...				Bioorg Med Chem Lett 11: 1955-7 (2001) BindingDB Entry DOI: 10.7270/Q2DF6RR2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ghrelin receptor ()	BDBM50049478 (1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...) Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1 Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1	Reactome pathway KEGG GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro growth hormone release was determined in rat pituitary cell assay				Bioorg Med Chem Lett 8: 107-12 (1999) BindingDB Entry DOI: 10.7270/Q2XS5TJX
					More data for this Ligand-Target Pair