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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3 (MC3R)' and Ligand = 'BDBM50389779'   
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 (MC3R)


(Homo sapiens (Human))
BDBM50389779
PNG
(CHEMBL2070252)
Show SMILES CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O
Show InChI InChI=1S/C93H145N27O20/c1-4-5-30-66(83(129)111-69-37-39-79(125)99-40-25-24-32-65(82(95)128)107-87(133)71(47-60-50-103-64-31-23-22-29-63(60)64)112-84(130)67(33-26-41-101-93(96)97)108-86(132)70(46-59-27-18-17-19-28-59)114-91(137)75-49-62(122)54-120(75)92(69)138)109-89(135)73(52-102-58(2)3)115-88(134)72(48-61-51-98-57-105-61)113-85(131)68(36-38-76(94)123)110-90(136)74(55-121)106-80(126)53-104-81(127)56-140-45-44-139-43-42-100-78(124)35-21-16-14-12-10-8-6-7-9-11-13-15-20-34-77-116-118-119-117-77/h17-19,22-23,27-29,31,50-51,57-58,62,65-75,102-103,121-122H,4-16,20-21,24-26,30,32-49,52-56H2,1-3H3,(H2,94,123)(H2,95,128)(H,98,105)(H,99,125)(H,100,124)(H,104,127)(H,106,126)(H,107,133)(H,108,132)(H,109,135)(H,110,136)(H,111,129)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H4,96,97,101)(H,116,117,118,119)/t62-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin


J Med Chem 55: 1969-77 (2012)


Article DOI: 10.1021/jm201489a
BindingDB Entry DOI: 10.7270/Q2DN464P
More data for this
Ligand-Target Pair