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BDBM50395009 CHEMBL2163470

SMILES: Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](N)C(=O)N1c23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=BXISKCFZKFDZBJ-RWKPYQOYSA-N

Data: 2 IC50

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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 2 hits for monomerid = 50395009   
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))
BDBM50395009
PNG
(CHEMBL2163470)
Show SMILES Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](N)C(=O)N1c23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C57H70N12O7/c1-33-40(39-19-6-8-21-43(39)63-33)31-48(68-56(75)49-30-36-17-13-16-35-24-25-41(60)57(76)69(49)50(35)36)55(74)65-45(23-10-12-27-59)52(71)67-47(29-37-32-62-42-20-7-5-18-38(37)42)54(73)66-46(28-34-14-3-2-4-15-34)53(72)64-44(51(61)70)22-9-11-26-58/h2-8,13-21,32,41,44-49,62-63H,9-12,22-31,58-60H2,1H3,(H2,61,70)(H,64,72)(H,65,74)(H,66,73)(H,67,71)(H,68,75)/t41-,44-,45+,46+,47-,48+,49-/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin expressed in in LLC-PK1 cells incubated for 1 hr by gamma counting method


J Med Chem 55: 6502-11 (2012)


Article DOI: 10.1021/jm300557t
BindingDB Entry DOI: 10.7270/Q22J6D00
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50395009
PNG
(CHEMBL2163470)
Show SMILES Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H]1Cc2cccc3CC[C@H](N)C(=O)N1c23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1S/C57H70N12O7/c1-33-40(39-19-6-8-21-43(39)63-33)31-48(68-56(75)49-30-36-17-13-16-35-24-25-41(60)57(76)69(49)50(35)36)55(74)65-45(23-10-12-27-59)52(71)67-47(29-37-32-62-42-20-7-5-18-38(37)42)54(73)66-46(28-34-14-3-2-4-15-34)53(72)64-44(51(61)70)22-9-11-26-58/h2-8,13-21,32,41,44-49,62-63H,9-12,22-31,58-60H2,1H3,(H2,61,70)(H,64,72)(H,65,74)(H,66,73)(H,67,71)(H,68,75)/t41-,44-,45+,46+,47-,48+,49-/m0/s1
PDB

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of photoactivatable [125I]-Tyr-Bpa-Ala-Hexarelin from CD36 in Sprague-Dawley rat cardiac membranes incubated for 60 mins by densitometry


J Med Chem 55: 6502-11 (2012)


Article DOI: 10.1021/jm300557t
BindingDB Entry DOI: 10.7270/Q22J6D00
More data for this
Ligand-Target Pair