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BDBM50179137 (R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((2-oxooxazolidin-3-yl)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL265985

SMILES: Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1

InChI Key: InChIKey=NTMXDNFEFWCVSA-LOYHVIPDSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 50179137   
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 5


(Homo sapiens (Human))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/a 180n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/an/an/a 5.80n/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))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1BR 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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/a 4n/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))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/an/an/a 280n/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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/an/an/a 1.30E+3n/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 3


(Homo sapiens (Human))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
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n/an/a 460n/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