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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 1' and Ligand = 'BDBM50354719'   
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 1


(Mus musculus)
BDBM50354719
PNG
(CHEMBL1834391)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C76H109N21O18/c1-4-5-18-51(89-73(113)59(40-99)95-71(111)55(91-65(105)49(78)39-98)33-44-23-25-47(100)26-24-44)67(107)90-53(27-28-62(102)103)69(109)94-58(35-46-37-82-41-86-46)72(112)92-56(32-43-15-7-6-8-16-43)70(110)88-52(21-13-30-83-76(80)81)68(108)93-57(34-45-36-84-50-19-10-9-17-48(45)50)66(106)85-38-61(101)87-54(20-11-12-29-77)75(115)97-31-14-22-60(97)74(114)96-63(42(2)3)64(79)104/h6-10,15-17,19,23-26,36-37,41-42,49,51-60,63,84,98-100H,4-5,11-14,18,20-22,27-35,38-40,77-78H2,1-3H3,(H2,79,104)(H,82,86)(H,85,106)(H,87,101)(H,88,110)(H,89,113)(H,90,107)(H,91,105)(H,92,112)(H,93,108)(H,94,109)(H,95,111)(H,96,114)(H,102,103)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,63-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



The University of Iowa

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting


Bioorg Med Chem Lett 21: 5757-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.017
BindingDB Entry DOI: 10.7270/Q2H132DZ
More data for this
Ligand-Target Pair