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BDBM50395023 CHEMBL2163445::US9708370, 50 CP-2A(iv)

SMILES: C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NNC(=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=PJGMDNIRSCUWON-GNMDYMEKSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50395023   
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50395023
PNG
(CHEMBL2163445 | US9708370, 50 CP-2A(iv))
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NNC(=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/C36H48N12O6/c1-21(43-33(51)26(38)17-24-19-40-20-42-24)32(50)47-48-36(54)46-30(16-23-18-41-27-12-6-5-11-25(23)27)35(53)45-29(15-22-9-3-2-4-10-22)34(52)44-28(31(39)49)13-7-8-14-37/h2-6,9-12,18-21,26,28-30,41H,7-8,13-17,37-38H2,1H3,(H2,39,49)(H,40,42)(H,43,51)(H,44,52)(H,45,53)(H,47,50)(H2,46,48,54)/t21-,26+,28+,29-,30+/m1/s1
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Article
PubMed
n/an/a>1.00E+4n/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
Estrogen receptor [D538G]


(Homo sapiens (Human))
BDBM50395023
PNG
(CHEMBL2163445 | US9708370, 50 CP-2A(iv))
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NNC(=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/C36H48N12O6/c1-21(43-33(51)26(38)17-24-19-40-20-42-24)32(50)47-48-36(54)46-30(16-23-18-41-27-12-6-5-11-25(23)27)35(53)45-29(15-22-9-3-2-4-10-22)34(52)44-28(31(39)49)13-7-8-14-37/h2-6,9-12,18-21,26,28-30,41H,7-8,13-17,37-38H2,1H3,(H2,39,49)(H,40,42)(H,43,51)(H,44,52)(H,45,53)(H,47,50)(H2,46,48,54)/t21-,26+,28+,29-,30+/m1/s1
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US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



VALORISATION-RECHERCHE, LIMITED PARTNERSHIP; VALORISATION HSJ, LIMITED PARTNERSHIP

US Patent


Assay Description
GHS-R1a radioreceptor assay using LLCPK-1 membranes overexpressing GSH-R1a and radioiodinated (1-28) rat ghrelin as tracer.


US Patent US9708370 (2017)


BindingDB Entry DOI: 10.7270/Q2XP76ZK
More data for this
Ligand-Target Pair
Platelet glycoprotein 4


(Rattus norvegicus)
BDBM50395023
PNG
(CHEMBL2163445 | US9708370, 50 CP-2A(iv))
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NNC(=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/C36H48N12O6/c1-21(43-33(51)26(38)17-24-19-40-20-42-24)32(50)47-48-36(54)46-30(16-23-18-41-27-12-6-5-11-25(23)27)35(53)45-29(15-22-9-3-2-4-10-22)34(52)44-28(31(39)49)13-7-8-14-37/h2-6,9-12,18-21,26,28-30,41H,7-8,13-17,37-38H2,1H3,(H2,39,49)(H,40,42)(H,43,51)(H,44,52)(H,45,53)(H,47,50)(H2,46,48,54)/t21-,26+,28+,29-,30+/m1/s1
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PubMed
n/an/a>1.00E+4n/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