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BDBM50089427 CHEMBL3578006

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(O)=O

InChI Key: InChIKey=AVRCBPPRBIHPJB-BXNVPXDMNA-N

Data: 2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089427   
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))
BDBM50089427
PNG
(CHEMBL3578006)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1/C49H61N9O8/c1-29(2)23-38(45(61)58-42(49(65)66)27-43(52)59)55-48(64)41(26-33-28-53-37-21-9-8-19-35(33)37)57-46(62)39(24-30-13-4-3-5-14-30)56-47(63)40(54-44(60)36(51)20-10-11-22-50)25-32-17-12-16-31-15-6-7-18-34(31)32/h3-9,12-19,21,28-29,36,38-42,53H,10-11,20,22-27,50-51H2,1-2H3,(H2,52,59)(H,54,60)(H,55,64)(H,56,63)(H,57,62)(H,58,61)(H,65,66)/t36-,38-,39-,40-,41+,42-/s2
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GHSR1a receptor expressed in COS-7 cells assessed as inositol phosphate accumulation after 2 hrs by anion exchange ...


J Med Chem 58: 4180-93 (2015)


Article DOI: 10.1021/jm501702q
BindingDB Entry DOI: 10.7270/Q2P84DNK
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50089427
PNG
(CHEMBL3578006)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1/C49H61N9O8/c1-29(2)23-38(45(61)58-42(49(65)66)27-43(52)59)55-48(64)41(26-33-28-53-37-21-9-8-19-35(33)37)57-46(62)39(24-30-13-4-3-5-14-30)56-47(63)40(54-44(60)36(51)20-10-11-22-50)25-32-17-12-16-31-15-6-7-18-34(31)32/h3-9,12-19,21,28-29,36,38-42,53H,10-11,20,22-27,50-51H2,1-2H3,(H2,52,59)(H,54,60)(H,55,64)(H,56,63)(H,57,62)(H,58,61)(H,65,66)/t36-,38-,39-,40-,41+,42-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 189n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GHSR1a receptor expressed in COS-7 cells assessed as inositol phosphate accumulation after 2 hrs by anion exchange ...


J Med Chem 58: 4180-93 (2015)


Article DOI: 10.1021/jm501702q
BindingDB Entry DOI: 10.7270/Q2P84DNK
More data for this
Ligand-Target Pair