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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50112906'   
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 3


(Homo sapiens (Human))
BDBM50112906
PNG
(CHEMBL3600917)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-43-30-49(74)62-24-13-12-20-46(50(58)75)70(3)54(79)44(28-38-31-64-41-19-11-10-17-40(38)41)69-53(78)47(21-14-25-63-57(59)60)71(4)56(81)48(27-35-22-23-36-15-8-9-16-37(36)26-35)72(5)55(80)45(68-52(43)77)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,63)/t42-,43+,44+,45+,46+,47+,48-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50112906
PNG
(CHEMBL3600917)
Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C57H77N15O9/c1-6-7-18-42(66-34(2)73)51(76)67-43-30-49(74)62-24-13-12-20-46(50(58)75)70(3)54(79)44(28-38-31-64-41-19-11-10-17-40(38)41)69-53(78)47(21-14-25-63-57(59)60)71(4)56(81)48(27-35-22-23-36-15-8-9-16-37(36)26-35)72(5)55(80)45(68-52(43)77)29-39-32-61-33-65-39/h8-11,15-17,19,22-23,26,31-33,42-48,64H,6-7,12-14,18,20-21,24-25,27-30H2,1-5H3,(H2,58,75)(H,61,65)(H,62,74)(H,66,73)(H,67,76)(H,68,77)(H,69,78)(H4,59,60,63)/t42-,43+,44+,45+,46+,47+,48-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.81E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting


J Med Chem 58: 6359-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00102
BindingDB Entry DOI: 10.7270/Q251410F
More data for this
Ligand-Target Pair