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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 = 'BDBM50266756'   
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


(Mus musculus)
BDBM50266756
PNG
(CHEMBL4068777)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C43H47IN8O5/c1-26(53)49-37(25-29-13-17-31-8-3-5-10-33(31)22-29)41(56)50-35(11-6-20-48-43(46)47)40(55)52-38(23-27-14-18-34(44)19-15-27)42(57)51-36(39(45)54)24-28-12-16-30-7-2-4-9-32(30)21-28/h2-5,7-10,12-19,21-22,35-38H,6,11,20,23-25H2,1H3,(H2,45,54)(H,49,53)(H,50,56)(H,51,57)(H,52,55)(H4,46,47,48)/t35-,36+,37+,38+/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01417
BindingDB Entry DOI: 10.7270/Q2RR231G
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)
BDBM50266756
PNG
(CHEMBL4068777)
Show SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C43H47IN8O5/c1-26(53)49-37(25-29-13-17-31-8-3-5-10-33(31)22-29)41(56)50-35(11-6-20-48-43(46)47)40(55)52-38(23-27-14-18-34(44)19-15-27)42(57)51-36(39(45)54)24-28-12-16-30-7-2-4-9-32(30)21-28/h2-5,7-10,12-19,21-22,35-38H,6,11,20,23-25H2,1H3,(H2,45,54)(H,49,53)(H,50,56)(H,51,57)(H,52,55)(H4,46,47,48)/t35-,36+,37+,38+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
790n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01417
BindingDB Entry DOI: 10.7270/Q2RR231G
More data for this
Ligand-Target Pair