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BDBM50396911 CHEMBL2170697

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H](N)CCCCN)C(N)=O

InChI Key: InChIKey=HZVMUFYJXRWZTR-CBDSZOPFSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396911   
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))		BDBM50396911
PNG
(CHEMBL2170697)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)[C@@H](N)CCCCN)C(N)=O |r|
Show InChI InChI=1S/C54H69N9O7/c1-33(2)27-43(49(57)65)59-51(67)44(28-34(3)4)61-54(70)47(31-39-32-58-42-21-12-11-19-40(39)42)63-53(69)46(29-35-15-7-5-8-16-35)62-52(68)45(60-50(66)41(56)20-13-14-26-55)30-36-22-24-38(25-23-36)48(64)37-17-9-6-10-18-37/h5-12,15-19,21-25,32-34,41,43-47,58H,13-14,20,26-31,55-56H2,1-4H3,(H2,57,65)(H,59,67)(H,60,66)(H,61,70)(H,62,68)(H,63,69)/t41-,43-,44-,45+,46-,47+/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 169n/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay

J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair