BindingDB logo
myBDB logout

BDBM50191575 (S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-3-(1H-imidazol-4-yl)propanamide::CHEMBL211419

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1

InChI Key: InChIKey=NSMUITYTUDRYSP-NXVJRICRSA-N

Data: 3 KI  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 6 hits for monomerid = 50191575   
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


(Homo sapiens (Human))		BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.70n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells

J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.88E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells

J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.23E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells

J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))		BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.72E+3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R transfected in HEK293 cells

J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 986n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R transfected in HEK293 cells

J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50191575
PNG
((S)-2-acetamido-N-((R)-1-((2R,4R)-2-(3-guanidinopr...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
Show InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(46)43-33(17-25-8-3-2-4-9-25)35(47)44-21-31(19-30(44)12-7-15-40-36(37)38)48-22-26-13-14-27-10-5-6-11-28(27)16-26/h2-6,8-11,13-14,16,20,23,30-33H,7,12,15,17-19,21-22H2,1H3,(H,39,41)(H,42,45)(H,43,46)(H4,37,38,40)/t30-,31-,32+,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells

J Med Chem 49: 4745-61 (2006)


Article DOI: 10.1021/jm060384p
BindingDB Entry DOI: 10.7270/Q29W0F4J
More data for this
Ligand-Target Pair