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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50121884'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH; not determined


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation


Bioorg Med Chem Lett 15: 5504-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50121884
PNG
(5-Bromo-2-pentanoylamino-1,2,3,4-tetrahydro-naphth...)
Show SMILES CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H55BrN10O6/c1-2-3-18-38(57)55-44(20-19-30-28(24-44)13-9-15-32(30)45)42(61)54-35(22-27-11-5-4-6-12-27)41(60)52-34(17-10-21-49-43(47)48)40(59)53-36(39(58)51-26-37(46)56)23-29-25-50-33-16-8-7-14-31(29)33/h4-9,11-16,25,34-36,50H,2-3,10,17-24,26H2,1H3,(H2,46,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)(H,55,57)(H4,47,48,49)/t34-,35+,36-,44?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 33n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC4R


Bioorg Med Chem Lett 13: 133-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00830-2
BindingDB Entry DOI: 10.7270/Q2BV7H5F
More data for this
Ligand-Target Pair