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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 = 'BDBM50410397'   
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))		BDBM50410397
PNG
(CHEMBL2096718)
Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=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/C75H88N18O16/c1-41-64(99)86-56(33-43-14-7-4-8-15-43)72(107)92-75(2,73(108)109)93(60(63(78)98)35-45-22-27-51(95)28-23-45)62(97)38-59(87-65(100)52(76)31-44-20-25-50(94)26-21-44)71(106)90-57(36-49-39-81-40-83-49)70(105)89-54(32-42-12-5-3-6-13-42)68(103)85-53(18-11-29-82-74(79)80)66(101)88-55(69(104)91-58(37-61(77)96)67(102)84-41)34-46-19-24-47-16-9-10-17-48(47)30-46/h3-10,12-17,19-28,30,39-41,52-60,94-95H,11,18,29,31-38,76H2,1-2H3,(H2,77,96)(H2,78,98)(H,81,83)(H,84,102)(H,85,103)(H,86,99)(H,87,100)(H,88,101)(H,89,105)(H,90,106)(H,91,104)(H,92,107)(H,108,109)(H4,79,80,82)/t41-,52-,53-,54+,55+,56-,57-,58-,59-,60-,75?/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.950n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration for mouse Melanocortin-5 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