BindingDB logo
myBDB logout

null

SMILES: NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1

InChI Key: InChIKey=JUMSMUNNVHJXRS-UHFFFAOYSA-N

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 4 hits for monomerid = 50217775   
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
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50217775
PNG
(CHEMBL394073 | N-(2,6-difluorobenzyl)-4-(2-(4-hydr...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.63,5.55,;-1.96,4.77,;-1.94,3.23,;-3.27,2.45,;-4.61,3.22,;-5.93,2.43,;-5.92,.89,;-4.56,.13,;-4.54,-1.42,;-5.88,-2.21,;-7.25,-1.46,;-7.25,.1,;-5.86,-3.77,;-7.22,-4.73,;-7.19,-7.49,;-8.51,-8.28,;-9.86,-7.53,;-8.49,-9.82,;-7.13,-10.57,;-5.82,-9.78,;-5.85,-8.24,;-4.53,-7.45,;-4.5,-4.53,;-4.48,-6.08,;-3.17,-3.73,;-1.84,-4.47,;-.5,-3.7,;.82,-4.46,;2.24,-3.79,;3,-2.45,;4.54,-2.43,;5.31,-3.76,;6.85,-3.75,;7.61,-2.41,;9.15,-2.4,;6.82,-1.08,;5.29,-1.1,;3.29,-4.91,;2.54,-6.26,;3.03,-7.7,;2.03,-8.86,;.51,-8.56,;.02,-7.11,;1.03,-5.95,;-4.63,4.75,;-3.3,5.53,)|
Show InChI InChI=1S/C39H47F2N3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50217775
PNG
(CHEMBL394073 | N-(2,6-difluorobenzyl)-4-(2-(4-hydr...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.63,5.55,;-1.96,4.77,;-1.94,3.23,;-3.27,2.45,;-4.61,3.22,;-5.93,2.43,;-5.92,.89,;-4.56,.13,;-4.54,-1.42,;-5.88,-2.21,;-7.25,-1.46,;-7.25,.1,;-5.86,-3.77,;-7.22,-4.73,;-7.19,-7.49,;-8.51,-8.28,;-9.86,-7.53,;-8.49,-9.82,;-7.13,-10.57,;-5.82,-9.78,;-5.85,-8.24,;-4.53,-7.45,;-4.5,-4.53,;-4.48,-6.08,;-3.17,-3.73,;-1.84,-4.47,;-.5,-3.7,;.82,-4.46,;2.24,-3.79,;3,-2.45,;4.54,-2.43,;5.31,-3.76,;6.85,-3.75,;7.61,-2.41,;9.15,-2.4,;6.82,-1.08,;5.29,-1.1,;3.29,-4.91,;2.54,-6.26,;3.03,-7.7,;2.03,-8.86,;.51,-8.56,;.02,-7.11,;1.03,-5.95,;-4.63,4.75,;-3.3,5.53,)|
Show InChI InChI=1S/C39H47F2N3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50217775
PNG
(CHEMBL394073 | N-(2,6-difluorobenzyl)-4-(2-(4-hydr...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.63,5.55,;-1.96,4.77,;-1.94,3.23,;-3.27,2.45,;-4.61,3.22,;-5.93,2.43,;-5.92,.89,;-4.56,.13,;-4.54,-1.42,;-5.88,-2.21,;-7.25,-1.46,;-7.25,.1,;-5.86,-3.77,;-7.22,-4.73,;-7.19,-7.49,;-8.51,-8.28,;-9.86,-7.53,;-8.49,-9.82,;-7.13,-10.57,;-5.82,-9.78,;-5.85,-8.24,;-4.53,-7.45,;-4.5,-4.53,;-4.48,-6.08,;-3.17,-3.73,;-1.84,-4.47,;-.5,-3.7,;.82,-4.46,;2.24,-3.79,;3,-2.45,;4.54,-2.43,;5.31,-3.76,;6.85,-3.75,;7.61,-2.41,;9.15,-2.4,;6.82,-1.08,;5.29,-1.1,;3.29,-4.91,;2.54,-6.26,;3.03,-7.7,;2.03,-8.86,;.51,-8.56,;.02,-7.11,;1.03,-5.95,;-4.63,4.75,;-3.3,5.53,)|
Show InChI InChI=1S/C39H47F2N3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50217775
PNG
(CHEMBL394073 | N-(2,6-difluorobenzyl)-4-(2-(4-hydr...)
Show SMILES NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.63,5.55,;-1.96,4.77,;-1.94,3.23,;-3.27,2.45,;-4.61,3.22,;-5.93,2.43,;-5.92,.89,;-4.56,.13,;-4.54,-1.42,;-5.88,-2.21,;-7.25,-1.46,;-7.25,.1,;-5.86,-3.77,;-7.22,-4.73,;-7.19,-7.49,;-8.51,-8.28,;-9.86,-7.53,;-8.49,-9.82,;-7.13,-10.57,;-5.82,-9.78,;-5.85,-8.24,;-4.53,-7.45,;-4.5,-4.53,;-4.48,-6.08,;-3.17,-3.73,;-1.84,-4.47,;-.5,-3.7,;.82,-4.46,;2.24,-3.79,;3,-2.45,;4.54,-2.43,;5.31,-3.76,;6.85,-3.75,;7.61,-2.41,;9.15,-2.4,;6.82,-1.08,;5.29,-1.1,;3.29,-4.91,;2.54,-6.26,;3.03,-7.7,;2.03,-8.86,;.51,-8.56,;.02,-7.11,;1.03,-5.95,;-4.63,4.75,;-3.3,5.53,)|
Show InChI InChI=1S/C39H47F2N3O2/c40-35-7-4-8-36(41)34(35)25-44(30-19-13-27(14-20-30)23-26-11-17-29(42)18-12-26)39(46)10-3-6-33-32-5-1-2-9-37(32)43-38(33)24-28-15-21-31(45)22-16-28/h1-2,4-5,7-9,15-16,21-22,26-27,29-30,43,45H,3,6,10-14,17-20,23-25,42H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair