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BDBM50125750 CHEMBL13910::N-[1-[2-(4-Butyryl-4-phenyl-piperidin-1-yl)-1-(4-methoxy-benzyl)-2-oxo-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethyl]-benzamide

SMILES: CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=LNJORQHQDHIPBT-CZNDPXEESA-N

Data: 1 IC50  4 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 5 hits for monomerid = 50125750   
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 3 (MC3R)


(Homo sapiens (Human))
BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells


J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)


J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells


J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.90n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells


J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50125750
PNG
(CHEMBL13910 | N-[1-[2-(4-Butyryl-4-phenyl-piperidi...)
Show SMILES CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N5O5/c1-3-10-34(44)38(29-13-8-5-9-14-29)19-21-43(22-20-38)37(47)33(23-27-15-17-31(48-2)18-16-27)42-36(46)32(24-30-25-39-26-40-30)41-35(45)28-11-6-4-7-12-28/h4-9,11-18,25-26,32-33H,3,10,19-24H2,1-2H3,(H,39,40)(H,41,45)(H,42,46)/t32-,33-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.190n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Melanocortin 1 receptor (MC1R)


J Med Chem 46: 1123-6 (2003)


Article DOI: 10.1021/jm025600i
BindingDB Entry DOI: 10.7270/Q2KK9B43
More data for this
Ligand-Target Pair