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BDBM50017132 CHEMBL3287325

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O

InChI Key: InChIKey=PHPBSUCWKAPUKN-ASDGIDEWSA-N

Data: 5 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 5 hits for monomerid = 50017132   
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))
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.290n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assess...


J Med Chem 57: 4615-28 (2014)

More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)

More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)

More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.30n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)

More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50017132
PNG
(CHEMBL3287325)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Show InChI InChI=1S/C32H45I2N11O5/c1-18(46)42-23(4-2-14-40-31(36)37)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-24(5-3-15-41-32(38)39)29(49)44-25(27(35)47)16-19-6-10-21(33)11-7-19/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stim...


J Med Chem 57: 4615-28 (2014)

More data for this
Ligand-Target Pair