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)(C(=O)N[C@H](COCc1ccccc1)C(=O)N2CCC3(CC2)CN(c4c3cccc4)S(=O)(=O)C)N

InChI Key InChIKey=UMUPQWIGCOZEOY-UHFFFAOYSA-N

Data  8 KI  8 IC50  1 Kd  5 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50049478   

TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition against human growth hormone secretagogue (GHS) receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 0.510nMAssay Description:Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 0.630nMAssay Description:Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 0.760nMAssay Description:Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 2nMAssay Description:Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 2nMAssay Description:Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 32nMAssay Description:Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGrowth hormone secretagogue receptor type 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50049478BDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50: 300nMAssay Description:Binding affinity for human growth hormone GH secretagogue (hGHsr) receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)