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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50250215'   
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 3


(Homo sapiens (Human))		BDBM50250215
PNG
(CHEMBL4091536)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cn2cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCSC)C(O)=O)nn2)NC(=O)[C@@H](N)CCCCN |r|
Show InChI InChI=1S/C48H72N18O9S/c1-4-26(2)39-46(73)57-33(13-9-16-54-48(51)52)41(68)59-35(18-27-21-55-32-12-6-5-10-30(27)32)42(69)60-37(43(70)58-34(47(74)75)14-17-76-3)20-29-23-66(65-64-29)24-38(62-40(67)31(50)11-7-8-15-49)45(72)61-36(44(71)63-39)19-28-22-53-25-56-28/h5-6,10,12,21-23,25-26,31,33-39,55H,4,7-9,11,13-20,24,49-50H2,1-3H3,(H,53,56)(H,57,73)(H,58,70)(H,59,68)(H,60,69)(H,61,72)(H,62,67)(H,63,71)(H,74,75)(H4,51,52,54)/t26-,31+,33+,34+,35+,36+,37+,38+,39-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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 MC3R 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