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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50049478   

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

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  0.240nMAssay Description:Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligandMore data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1 [E24Q](Homo sapiens (Human))
Université Montpellier 1

LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  8.90nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  9.90nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
TargetDimer of Growth hormone secretagogue receptor type 1(Homo sapiens (Human))
Université Montpellier 1

LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  10.2nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  65.8nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
TargetDimer of Growth hormone secretagogue receptor type 1(Homo sapiens (Human))
Université Montpellier 1

LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  68.4nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1 [E24Q](Homo sapiens (Human))
Université Montpellier 1

LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  68.9nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKi:  90.6nMAssay Description:Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ...More data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataEC50:  1.40nMAssay Description:Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...More data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataEC50:  1.30nMAssay Description:Agonist activity at human GHS-R1More data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(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
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataEC50:  0.398nMAssay Description:Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysisMore data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataEC50:  0.400nMAssay Description:Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysisMore data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(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
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(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
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(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
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(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
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of the compound against human growth hormone secretagogue (GHS) receptorMore data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(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
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataKd:  0.140nMAssay Description:Compound was evaluated for binding affinity using [35S]-MK-0677 (800-1100 Ci/mmol), as radioligand having specific high activityMore data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataIC50:  0.630nMAssay Description:Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ...More data for this Ligand-Target Pair
TargetGrowth hormone secretagogue receptor type 1(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50049478(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Affinity DataEC50:  1.30nMAssay Description:In vitro growth hormone release was determined in rat pituitary cell assayMore data for this Ligand-Target Pair