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SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O

InChI Key: InChIKey=AABIUXXJGLXQTM-KQFVITFDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50266724   
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)
BDBM50266724
PNG
(CHEMBL4065669)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C36H43IN10O5/c1-21(48)44-31(18-27-19-41-20-43-27)35(52)45-28(7-4-14-42-36(39)40)33(50)47-30(16-22-9-12-26(37)13-10-22)34(51)46-29(32(38)49)17-23-8-11-24-5-2-3-6-25(24)15-23/h2-3,5-6,8-13,15,19-20,28-31H,4,7,14,16-18H2,1H3,(H2,38,49)(H,41,43)(H,44,48)(H,45,52)(H,46,51)(H,47,50)(H4,39,40,42)/t28-,29+,30+,31-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50266724
PNG
(CHEMBL4065669)
Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C36H43IN10O5/c1-21(48)44-31(18-27-19-41-20-43-27)35(52)45-28(7-4-14-42-36(39)40)33(50)47-30(16-22-9-12-26(37)13-10-22)34(51)46-29(32(38)49)17-23-8-11-24-5-2-3-6-25(24)15-23/h2-3,5-6,8-13,15,19-20,28-31H,4,7,14,16-18H2,1H3,(H2,38,49)(H,41,43)(H,44,48)(H,45,52)(H,46,51)(H,47,50)(H4,39,40,42)/t28-,29+,30+,31-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay


J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair