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BDBM50157320 (S)-1-Methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide; dihydrochloride::CHEMBL2113028

SMILES: CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C)C1CCCCC1

InChI Key: InChIKey=AUJXVLHOWUBHBM-IZLXSDGUSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50157320   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50157320
PNG
((S)-1-Methyl-piperazine-2-carboxylic acid [(R)-2-(...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C35H54FN5O5/c1-33(2,3)39-31(44)35(25-10-8-7-9-11-25)16-19-40(20-17-35)30(43)27(22-24-12-14-26(36)15-13-24)38-29(42)28-23-37-18-21-41(28)32(45)46-34(4,5)6/h12-15,25,27-28,37H,7-11,16-23H2,1-6H3,(H,38,42)(H,39,44)/t27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration towards human melanocortin-4 receptor mediated cAMP accumulation in CHO cells


Bioorg Med Chem Lett 15: 171-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.020
BindingDB Entry DOI: 10.7270/Q2G44R2V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50157320
PNG
((S)-1-Methyl-piperazine-2-carboxylic acid [(R)-2-(...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C35H54FN5O5/c1-33(2,3)39-31(44)35(25-10-8-7-9-11-25)16-19-40(20-17-35)30(43)27(22-24-12-14-26(36)15-13-24)38-29(42)28-23-37-18-21-41(28)32(45)46-34(4,5)6/h12-15,25,27-28,37H,7-11,16-23H2,1-6H3,(H,38,42)(H,39,44)/t27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand


Bioorg Med Chem Lett 15: 171-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.020
BindingDB Entry DOI: 10.7270/Q2G44R2V
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50157320
PNG
((S)-1-Methyl-piperazine-2-carboxylic acid [(R)-2-(...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C)C1CCCCC1
Show InChI InChI=1S/C35H54FN5O5/c1-33(2,3)39-31(44)35(25-10-8-7-9-11-25)16-19-40(20-17-35)30(43)27(22-24-12-14-26(36)15-13-24)38-29(42)28-23-37-18-21-41(28)32(45)46-34(4,5)6/h12-15,25,27-28,37H,7-11,16-23H2,1-6H3,(H,38,42)(H,39,44)/t27-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration towards human melanocortin-5 receptor mediated cAMP accumulation in CHO cells


Bioorg Med Chem Lett 15: 171-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.020
BindingDB Entry DOI: 10.7270/Q2G44R2V
More data for this
Ligand-Target Pair