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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50374673'   
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
Melanocyte-stimulating hormone receptor


(Mus musculus)
BDBM50374673
PNG
(CHEMBL408398)
Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:26.27,wD:15.15,48.50,37.39,(3.62,2.67,;2.29,1.89,;.96,2.65,;2.3,.35,;.97,-.43,;.99,1.1,;-.35,1.87,;-.35,3.41,;-1.68,4.18,;-1.68,5.72,;-3.01,3.41,;-3.01,1.87,;-4.35,1.1,;-5.68,1.87,;-4.35,-.44,;-5.68,-1.21,;-7.01,-.44,;-8.35,-1.21,;-9.68,-.43,;-11.01,-1.19,;-11.01,-2.74,;-9.67,-3.51,;-8.34,-2.73,;-5.68,-2.75,;-7.01,-3.52,;-4.35,-3.52,;-4.35,-5.06,;-5.68,-5.83,;-5.68,-7.37,;-7.02,-8.13,;-7.02,-9.67,;-5.69,-10.44,;-4.35,-9.66,;-4.36,-8.12,;-3.01,-5.83,;-3.01,-7.37,;-1.68,-5.06,;-.35,-5.83,;-.35,-7.37,;.99,-8.14,;.99,-9.68,;2.32,-10.45,;2.32,-11.99,;3.65,-12.76,;.99,-12.76,;.99,-5.06,;2.32,-5.83,;.99,-3.52,;2.32,-2.75,;3.65,-3.52,;4.99,-2.75,;5.16,-1.2,;6.66,-.89,;7.42,-2.23,;8.92,-2.56,;9.39,-4.03,;8.35,-5.17,;6.85,-4.84,;6.38,-3.37,;2.32,-1.21,;3.65,-.44,)|
Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-54-21-20-47-37(56)17-18-38(57)50-33(22-27-10-3-1-4-11-27)40(59)52-34(23-28-12-5-2-6-13-28)41(60)51-32(16-9-19-48-43(45)46)39(58)53-35(42(54)61)24-29-25-49-31-15-8-7-14-30(29)31/h1-8,10-15,25,32-35,49H,9,16-24,26H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H,53,58)(H4,45,46,48)/t32-,33-,34+,35-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 64n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R expressed in HEK293 cells


J Med Chem 51: 1026-34 (2008)


Article DOI: 10.1021/jm701093y
BindingDB Entry DOI: 10.7270/Q29W0GC3
More data for this
Ligand-Target Pair