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BDBM50164774 (2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide; dihydrochloride::CHEMBL554368

SMILES: CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C

InChI Key: InChIKey=UTVJDBAFZSBXLX-FCEKVYKBSA-N

Data: 1 IC50  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50164774   
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))
BDBM50164774
PNG
((2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor


Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50164774
PNG
((2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor


Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50164774
PNG
((2S,5R)-5-Ethyl-4-methyl-piperazine-2-carboxylic a...)
Show SMILES CC[C@@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H52FN5O3/c1-6-26-21-35-28(22-38(26)5)29(40)36-27(20-23-12-14-25(34)15-13-23)30(41)39-18-16-33(17-19-39,24-10-8-7-9-11-24)31(42)37-32(2,3)4/h12-15,24,26-28,35H,6-11,16-22H2,1-5H3,(H,36,40)(H,37,42)/t26-,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM


Bioorg Med Chem Lett 15: 1993-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.068
BindingDB Entry DOI: 10.7270/Q2MK6DNT
More data for this
Ligand-Target Pair