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SMILES: Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1

InChI Key: InChIKey=TXSUTEHZKIBGJG-VSJLXWSYSA-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 5 hits for monomerid = 50152818   
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 4


(Homo sapiens (Human))
BDBM50152818
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
27n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50152818
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor at 10 uM


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50152818
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1
UniProtKB/SwissProt

antibodypedia
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Article
PubMed
260n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-5 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50152818
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1
UniProtKB/SwissProt

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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50152818
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C38H41ClFN5O2/c39-32-15-13-27(14-16-32)23-35(43-37(46)34-24-29-8-1-2-9-30(29)26-42-34)38(47)45-21-19-44(20-22-45)36-12-6-4-10-31(36)25-41-18-17-28-7-3-5-11-33(28)40/h1-16,34-35,41-42H,17-26H2,(H,43,46)/t34-,35-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 910n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair