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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor (GLP-1)' and Ligand = 'BDBM50086589'   
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
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086589
PNG
(CHEMBL3426244)
Show SMILES [H][C@]1(NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H](CCCCNC(=O)CCC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(OC)cc1CC)C(=O)N[C@@H](CCCc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O |r|
Show InChI InChI=1/C75H100FN15O17/c1-7-46-36-50(108-6)30-31-51(46)47-28-26-45(27-29-47)35-58(68(102)84-54(64(78)98)23-15-19-44-17-9-8-10-18-44)86-67(101)55-24-16-25-60(94)80-34-14-13-22-56(70(104)91-75(5,38-48-20-11-12-21-52(48)76)73(107)89-63(43(2)93)71(105)87-59(41-92)69(103)85-55)83-61(95)40-81-66(100)57(32-33-62(96)97)88-72(106)74(3,4)90-65(99)53(77)37-49-39-79-42-82-49/h8-12,17-18,20-21,26-31,36,39,42-43,53-59,63,92-93H,7,13-16,19,22-25,32-35,37-38,40-41,77H2,1-6H3,(H2,78,98)(H,79,82)(H,80,94)(H,81,100)(H,83,95)(H,84,102)(H,85,103)(H,86,101)(H,87,105)(H,88,106)(H,89,107)(H,90,99)(H,91,104)(H,96,97)/t43-,53+,54+,55+,56+,57+,58+,59+,63+,75+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand bindin...


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50086589
PNG
(CHEMBL3426244)
Show SMILES [H][C@]1(NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H](CCCCNC(=O)CCC[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(OC)cc1CC)C(=O)N[C@@H](CCCc1ccccc1)C(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O |r|
Show InChI InChI=1/C75H100FN15O17/c1-7-46-36-50(108-6)30-31-51(46)47-28-26-45(27-29-47)35-58(68(102)84-54(64(78)98)23-15-19-44-17-9-8-10-18-44)86-67(101)55-24-16-25-60(94)80-34-14-13-22-56(70(104)91-75(5,38-48-20-11-12-21-52(48)76)73(107)89-63(43(2)93)71(105)87-59(41-92)69(103)85-55)83-61(95)40-81-66(100)57(32-33-62(96)97)88-72(106)74(3,4)90-65(99)53(77)37-49-39-79-42-82-49/h8-12,17-18,20-21,26-31,36,39,42-43,53-59,63,92-93H,7,13-16,19,22-25,32-35,37-38,40-41,77H2,1-6H3,(H2,78,98)(H,79,82)(H,80,94)(H,81,100)(H,83,95)(H,84,102)(H,85,103)(H,86,101)(H,87,105)(H,88,106)(H,89,107)(H,90,99)(H,91,104)(H,96,97)/t43-,53+,54+,55+,56+,57+,58+,59+,63+,75+/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 95n/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP-1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins


J Med Chem 58: 4080-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00166
BindingDB Entry DOI: 10.7270/Q2DB83KP
More data for this
Ligand-Target Pair