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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5' and Ligand = 'BDBM50250204'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 5


(Homo sapiens (Human))		BDBM50250204
PNG
(CHEMBL4060937)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(nn2)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C48H64N18O8S/c1-75-18-15-34(46(73)74)59-43(70)38-22-30-25-66(65-64-30)39(14-8-17-55-48(51)52)45(72)63-37(21-29-24-53-26-57-29)44(71)60-35(19-27-9-3-2-4-10-27)41(68)58-33(13-7-16-54-47(49)50)40(67)61-36(42(69)62-38)20-28-23-56-32-12-6-5-11-31(28)32/h2-6,9-12,23-26,33-39,56H,7-8,13-22H2,1H3,(H,53,57)(H,58,68)(H,59,70)(H,60,71)(H,61,67)(H,62,69)(H,63,72)(H,73,74)(H4,49,50,54)(H4,51,52,55)/t33-,34-,35+,36-,37-,38-,39-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 916n/an/an/an/a



CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay

J Med Chem 60: 8716-8730 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00353
BindingDB Entry DOI: 10.7270/Q2VQ3535
More data for this
Ligand-Target Pair