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BDBM50220701 (R)-N-((S)-1-(4-(tert-butylcarbamoyl)-4-tert-pentylpiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl)-4-methylpiperazine-2-carboxamide::CHEMBL268722

SMILES: CCC(C)(C)C1(CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CN(C)CCN1)C(=O)NC(C)(C)C

InChI Key: InChIKey=NDOKGGMXMSAVRI-BJKOFHAPSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50220701   
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))
BDBM50220701
PNG
((R)-N-((S)-1-(4-(tert-butylcarbamoyl)-4-tert-penty...)
Show SMILES CCC(C)(C)C1(CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CN(C)CCN1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H48FN5O3/c1-8-29(5,6)30(27(39)34-28(2,3)4)13-16-36(17-14-30)26(38)23(19-21-9-11-22(31)12-10-21)33-25(37)24-20-35(7)18-15-32-24/h9-12,23-24,32H,8,13-20H2,1-7H3,(H,33,37)(H,34,39)/t23-,24+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 151n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R assessed as stimulation of cAMP production


Bioorg Med Chem Lett 17: 5720-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.084
BindingDB Entry DOI: 10.7270/Q2708141
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50220701
PNG
((R)-N-((S)-1-(4-(tert-butylcarbamoyl)-4-tert-penty...)
Show SMILES CCC(C)(C)C1(CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CN(C)CCN1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H48FN5O3/c1-8-29(5,6)30(27(39)34-28(2,3)4)13-16-36(17-14-30)26(38)23(19-21-9-11-22(31)12-10-21)33-25(37)24-20-35(7)18-15-32-24/h9-12,23-24,32H,8,13-20H2,1-7H3,(H,33,37)(H,34,39)/t23-,24+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 17: 5720-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.084
BindingDB Entry DOI: 10.7270/Q2708141
More data for this
Ligand-Target Pair