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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 = 'BDBM50250203'   
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))		BDBM50250203
PNG
(CHEMBL4083755)
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](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C53H71N17O9S/c1-80-21-18-39(52(78)79)62-49(75)43-26-36-28-70(69-68-36)29-44(67-45(71)37(55)14-7-8-19-54)51(77)66-42(25-35-27-58-30-60-35)50(76)64-40(23-31-10-3-2-4-11-31)47(73)61-38(15-9-20-59-53(56)57)46(72)63-41(48(74)65-43)24-32-16-17-33-12-5-6-13-34(33)22-32/h2-6,10-13,16-17,22,27-28,30,37-44H,7-9,14-15,18-21,23-26,29,54-55H2,1H3,(H,58,60)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,59)/t37-,38-,39-,40+,41-,42-,43-,44-/m0/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