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SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O

InChI Key: InChIKey=FKKJYDBNNXYKOI-XFMMDKQPSA-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 8 hits for monomerid = 50122062   
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


(Mus musculus (Mouse))
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
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n/an/an/an/a 180n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-5 receptor stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Mus musculus (Mouse))
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
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n/an/an/an/a 960n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-5 receptor stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
PDB

KEGG

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n/an/an/an/a 3.46E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-4 receptor stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 8.80E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-4 receptor stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
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PubMed
n/an/an/an/a 9.90E+3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-3 receptor (mMC3R) stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
n/an/an/an/a 700n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-1 receptor stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 680n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-1 receptor stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50122062
PNG
(Ac-His-D-Phe-Arg-Atc-NH2 | CHEMBL153420)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
Show InChI InChI=1S/C34H44N10O5/c1-21(45)41-28(17-25-19-38-20-40-25)30(47)43-27(16-22-8-3-2-4-9-22)29(46)42-26(12-7-15-39-33(36)37)31(48)44-34(32(35)49)14-13-23-10-5-6-11-24(23)18-34/h2-6,8-11,19-20,26-28H,7,12-18H2,1H3,(H2,35,49)(H,38,40)(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H4,36,37,39)/t26-,27-,28-,34?/m0/s1
Reactome pathway
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PubMed
n/an/an/an/a 3.35E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Activity in mouse melanocortin-3 receptor (mMC3R) stably expressed in HEK293 cells


J Med Chem 45: 5736-44 (2002)


BindingDB Entry DOI: 10.7270/Q2Q2410R
More data for this
Ligand-Target Pair