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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 = 'BDBM50250199'   
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))		BDBM50250199
PNG
(CHEMBL4092477)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C45H66N18O9S/c1-24-37(64)55-31(11-7-14-51-45(48)49)39(66)57-33(16-25-19-52-30-10-4-3-8-28(25)30)41(68)58-35(42(69)56-32(44(71)72)12-15-73-2)18-27-21-63(62-61-27)22-36(60-38(65)29(47)9-5-6-13-46)43(70)59-34(40(67)54-24)17-26-20-50-23-53-26/h3-4,8,10,19-21,23-24,29,31-36,52H,5-7,9,11-18,22,46-47H2,1-2H3,(H,50,53)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,65)(H,71,72)(H4,48,49,51)/t24-,29+,31+,32+,33+,34+,35+,36+/m1/s1
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Similars
Article
PubMed
n/an/an/an/a>3.00E+3n/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