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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 = 'BDBM50086597'   
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))
BDBM50086597
PNG
(CHEMBL3426295)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H]2CSSCC[C@@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N2)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1
Show InChI InChI=1/C70H89FN14O18S2/c1-5-41-29-45(103-4)22-23-46(41)42-20-18-40(19-21-42)28-52(64(97)78-49(60(73)93)17-11-14-39-12-7-6-8-13-39)81-65(98)53(31-58(91)92)82-66(99)54(35-86)83-68(101)59(38(2)87)84-69(102)70(3,32-43-15-9-10-16-47(43)71)85-67(100)55-36-105-104-27-26-51(79-61(94)48(72)30-44-33-74-37-76-44)63(96)80-50(24-25-57(89)90)62(95)75-34-56(88)77-55/h6-10,12-13,15-16,18-23,29,33,37-38,48-55,59,86-87H,5,11,14,17,24-28,30-32,34-36,72H2,1-4H3,(H2,73,93)(H,74,76)(H,75,95)(H,77,88)(H,78,97)(H,79,94)(H,80,96)(H,81,98)(H,82,99)(H,83,101)(H,84,102)(H,85,100)(H,89,90)(H,91,92)/t38-,48+,49+,50+,51-,52+,53+,54+,55-,59+,70+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80E+3n/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))
BDBM50086597
PNG
(CHEMBL3426295)
Show SMILES CCc1cc(OC)ccc1-c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(Cc2ccccc2F)NC(=O)[C@H]2CSSCC[C@@H](NC(=O)[C@@H](N)Cc3cnc[nH]3)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N2)[C@@H](C)O)C(=O)N[C@@H](CCCc2ccccc2)C(N)=O)cc1
Show InChI InChI=1/C70H89FN14O18S2/c1-5-41-29-45(103-4)22-23-46(41)42-20-18-40(19-21-42)28-52(64(97)78-49(60(73)93)17-11-14-39-12-7-6-8-13-39)81-65(98)53(31-58(91)92)82-66(99)54(35-86)83-68(101)59(38(2)87)84-69(102)70(3,32-43-15-9-10-16-47(43)71)85-67(100)55-36-105-104-27-26-51(79-61(94)48(72)30-44-33-74-37-76-44)63(96)80-50(24-25-57(89)90)62(95)75-34-56(88)77-55/h6-10,12-13,15-16,18-23,29,33,37-38,48-55,59,86-87H,5,11,14,17,24-28,30-32,34-36,72H2,1-4H3,(H2,73,93)(H,74,76)(H,75,95)(H,77,88)(H,78,97)(H,79,94)(H,80,96)(H,81,98)(H,82,99)(H,83,101)(H,84,102)(H,85,100)(H,89,90)(H,91,92)/t38-,48+,49+,50+,51-,52+,53+,54+,55-,59+,70+/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/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