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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 = 'BDBM50100757'   
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


(Mus musculus (Mouse))		BDBM50100757
PNG
(Ac-Ser-Tyr-Ser-Nle-Glu-His-DPhe-Arg-Trp-Gly-Lys-NH...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)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](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C68H95N19O17/c1-3-4-16-47(81-67(104)55(36-89)87-64(101)51(29-40-20-22-43(91)23-21-40)84-66(103)54(35-88)78-38(2)90)60(97)82-49(24-25-57(93)94)62(99)86-53(31-42-33-73-37-77-42)65(102)83-50(28-39-13-6-5-7-14-39)63(100)80-48(19-12-27-74-68(71)72)61(98)85-52(30-41-32-75-45-17-9-8-15-44(41)45)59(96)76-34-56(92)79-46(58(70)95)18-10-11-26-69/h5-9,13-15,17,20-23,32-33,37,46-55,75,88-89,91H,3-4,10-12,16,18-19,24-31,34-36,69H2,1-2H3,(H2,70,95)(H,73,77)(H,76,96)(H,78,90)(H,79,92)(H,80,100)(H,81,104)(H,82,97)(H,83,102)(H,84,103)(H,85,98)(H,86,99)(H,87,101)(H,93,94)(H4,71,72,74)/t46-,47-,48-,49-,50+,51-,52-,53-,54-,55-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 0.460n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Functional activity at the mouse melanocortin 5 receptor

J Med Chem 44: 2247-52 (2001)


BindingDB Entry DOI: 10.7270/Q2GB24S4
More data for this
Ligand-Target Pair