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BDBM50102236 2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylcarboxamido]-3-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-3-oxo-(2R)-propyl octanoate; Trifluoroacatate::CHEMBL61292

SMILES: CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1

InChI Key: InChIKey=BLPKCTUIBPMCBD-XZOQPEGZSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50102236   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102236
PNG
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)
Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23+/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 68n/an/an/an/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)


Article DOI: 10.1016/s0960-894x(01)00324-9
BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50102236
PNG
(2-[1-aminomethylcarboxamido-2-hydroxy-(1S)-ethylca...)
Show SMILES CCCCCCCC(=O)OC[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C29H45N5O8S/c1-3-4-5-6-7-12-26(37)42-19-23(32-27(38)22(18-35)31-25(36)17-30)28(39)33-15-13-29(14-16-33)20-34(43(2,40)41)24-11-9-8-10-21(24)29/h8-11,22-23,35H,3-7,12-20,30H2,1-2H3,(H,31,36)(H,32,38)/t22-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 128n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(01)00324-9
BindingDB Entry DOI: 10.7270/Q2DF6RR2
More data for this
Ligand-Target Pair