BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5' and Ligand = 'BDBM50250213'   
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))		BDBM50250213
PNG
(CHEMBL4104927)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)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](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r|
Show InChI InChI=1S/C51H70N20O9S/c1-81-18-15-36(49(79)80)63-46(76)40-22-31-25-71(70-69-31)26-41(68-42(72)33(52)12-7-16-58-50(53)54)48(78)67-39(21-30-24-57-27-61-30)47(77)64-37(19-28-9-3-2-4-10-28)44(74)62-35(14-8-17-59-51(55)56)43(73)65-38(45(75)66-40)20-29-23-60-34-13-6-5-11-32(29)34/h2-6,9-11,13,23-25,27,33,35-41,60H,7-8,12,14-22,26,52H2,1H3,(H,57,61)(H,62,74)(H,63,76)(H,64,77)(H,65,73)(H,66,75)(H,67,78)(H,68,72)(H,79,80)(H4,53,54,58)(H4,55,56,59)/t33-,35-,36-,37+,38-,39-,40-,41-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 752n/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