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BDBM50451763 CHEMBL2112919

SMILES: CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

InChI Key: InChIKey=RFOJLIHUEQDUAJ-XFTNXAEASA-N

Data: 2 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50451763   
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))
BDBM50451763
PNG
(CHEMBL2112919)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451763
PNG
(CHEMBL2112919)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair