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SMILES: NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O

InChI Key: InChIKey=UFTHOJUCAJELPF-FSEITFBQSA-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 = 50310315   
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)
BDBM50310315
PNG
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)
Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)|
Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1
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n/an/an/an/a 1.17E+3n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay


Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50310315
PNG
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)
Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)|
Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1
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n/an/an/an/a 485n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay


Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50310315
PNG
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)
Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)|
Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay


Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50310315
PNG
(2-((6S,9S,15S)-6-((1H-indol-3-yl)methyl)-13,15-dib...)
Show SMILES NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)|
Show InChI InChI=1S/C45H57N11O7/c46-38(57)28-55-23-22-49-39(58)19-9-10-20-40(59)53-36(24-30-12-3-1-4-13-30)44(63)56(27-31-14-5-2-6-15-31)29-41(60)52-35(18-11-21-50-45(47)48)42(61)54-37(43(55)62)25-32-26-51-34-17-8-7-16-33(32)34/h1-8,12-17,26,35-37,51H,9-11,18-25,27-29H2,(H2,46,57)(H,49,58)(H,52,60)(H,53,59)(H,54,61)(H4,47,48,50)/t35-,36-,37-/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay


Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair