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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 = 'BDBM50410413'   
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)		BDBM50410413
PNG
(CHEMBL2096730)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C72H82N16O16/c1-39-62(94)80-51(29-40-12-5-3-6-13-40)68(100)86-72(2,71(103)104)88(58(61(75)93)31-43-21-25-47(90)26-22-43)60(92)35-55(81-63(95)49(73)28-42-19-23-46(89)24-20-42)67(99)82-53(33-45-37-76-38-78-45)66(98)85-56(30-41-14-7-4-8-15-41)70(102)87-27-11-18-57(87)69(101)84-52(32-44-36-77-50-17-10-9-16-48(44)50)65(97)83-54(34-59(74)91)64(96)79-39/h3-10,12-17,19-26,36-39,49,51-58,77,89-90H,11,18,27-35,73H2,1-2H3,(H2,74,91)(H2,75,93)(H,76,78)(H,79,96)(H,80,94)(H,81,95)(H,82,99)(H,83,97)(H,84,101)(H,85,98)(H,86,100)(H,103,104)/t39-,49-,51-,52-,53-,54-,55-,56+,57-,58-,72?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 990n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration for mouse Melanocortin-1 receptor

J Med Chem 48: 3060-75 (2005)


Article DOI: 10.1021/jm049010r
BindingDB Entry DOI: 10.7270/Q2PR7WS4
More data for this
Ligand-Target Pair