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BDBM50080579 CHEMBL3422431

SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=YUXLKQIRJKNUJL-JFLIKONONA-N

Data: 2 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 2 hits for monomerid = 50080579   
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 1


(Mus musculus)
BDBM50080579
PNG
(CHEMBL3422431)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C37H44IN9O5/c1-22(48)44-32(20-25-21-43-28-11-6-5-10-27(25)28)36(52)47-31(19-24-13-15-26(38)16-14-24)35(51)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,42)/t29-,30-,31+,32-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50080579
PNG
(CHEMBL3422431)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C37H44IN9O5/c1-22(48)44-32(20-25-21-43-28-11-6-5-10-27(25)28)36(52)47-31(19-24-13-15-26(38)16-14-24)35(51)45-29(12-7-17-42-37(40)41)34(50)46-30(33(39)49)18-23-8-3-2-4-9-23/h2-6,8-11,13-16,21,29-32,43H,7,12,17-20H2,1H3,(H2,39,49)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,40,41,42)/t29-,30-,31+,32-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay


ACS Med Chem Lett 6: 123-7 (2015)


Article DOI: 10.1021/ml500340z
BindingDB Entry DOI: 10.7270/Q2NC62W2
More data for this
Ligand-Target Pair