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BDBM50115379 2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-pyridin-3-yl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL104052

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=AWPSZBFASWADLU-LJWNLINESA-N

Data: 4 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 4 hits for monomerid = 50115379   
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 3


(Mus musculus)
BDBM50115379
PNG
(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H42N12O5/c1-19(46)42-28(14-22-17-38-18-41-22)32(50)45-27(12-20-6-4-10-37-15-20)31(49)43-25(9-5-11-39-33(35)36)30(48)44-26(29(34)47)13-21-16-40-24-8-3-2-7-23(21)24/h2-4,6-8,10,15-18,25-28,40H,5,9,11-14H2,1H3,(H2,34,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,35,36,39)/t25-,26-,27-,28-/m0/s1
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity to the mouse Melanocortin-3 receptor (mMC3R)


J Med Chem 45: 3073-81 (2002)


Article DOI: 10.1021/jm010524p
BindingDB Entry DOI: 10.7270/Q2KK9CHF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50115379
PNG
(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H42N12O5/c1-19(46)42-28(14-22-17-38-18-41-22)32(50)45-27(12-20-6-4-10-37-15-20)31(49)43-25(9-5-11-39-33(35)36)30(48)44-26(29(34)47)13-21-16-40-24-8-3-2-7-23(21)24/h2-4,6-8,10,15-18,25-28,40H,5,9,11-14H2,1H3,(H2,34,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,35,36,39)/t25-,26-,27-,28-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity to the mouse Melanocortin-4 receptor (mMC4R)


J Med Chem 45: 3073-81 (2002)


Article DOI: 10.1021/jm010524p
BindingDB Entry DOI: 10.7270/Q2KK9CHF
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50115379
PNG
(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H42N12O5/c1-19(46)42-28(14-22-17-38-18-41-22)32(50)45-27(12-20-6-4-10-37-15-20)31(49)43-25(9-5-11-39-33(35)36)30(48)44-26(29(34)47)13-21-16-40-24-8-3-2-7-23(21)24/h2-4,6-8,10,15-18,25-28,40H,5,9,11-14H2,1H3,(H2,34,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,35,36,39)/t25-,26-,27-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.61E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity towards mouse Melanocortin-5 receptor (mMC5R)


J Med Chem 45: 3073-81 (2002)


Article DOI: 10.1021/jm010524p
BindingDB Entry DOI: 10.7270/Q2KK9CHF
More data for this
Ligand-Target Pair
Melanocortin receptor 1


(Mus musculus)
BDBM50115379
PNG
(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H42N12O5/c1-19(46)42-28(14-22-17-38-18-41-22)32(50)45-27(12-20-6-4-10-37-15-20)31(49)43-25(9-5-11-39-33(35)36)30(48)44-26(29(34)47)13-21-16-40-24-8-3-2-7-23(21)24/h2-4,6-8,10,15-18,25-28,40H,5,9,11-14H2,1H3,(H2,34,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,35,36,39)/t25-,26-,27-,28-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.29E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Agonist activity to the mouse Melanocortin-1 receptor (mMC1R)


J Med Chem 45: 3073-81 (2002)


Article DOI: 10.1021/jm010524p
BindingDB Entry DOI: 10.7270/Q2KK9CHF
More data for this
Ligand-Target Pair