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SMILES: CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1

InChI Key: InChIKey=YHYBBOPOIUAVHY-FIRIVFDPSA-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 7 hits for monomerid = 50179134   
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


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/an/an/a 550n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC1BR by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC4R by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC1BR by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/an/an/a 340n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC5R by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC4R by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50179134
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
Show InChI InChI=1S/C36H47ClN4O4/c1-35(2)24-45-34(44)41(35)23-36(28-10-4-3-5-11-28)16-18-40(19-17-36)33(43)31(20-25-12-14-29(37)15-13-25)39-32(42)30-21-26-8-6-7-9-27(26)22-38-30/h6-9,12-15,28,30-31,38H,3-5,10-11,16-24H2,1-2H3,(H,39,42)/t30-,31-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair