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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50273766'   
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


(Homo sapiens (Human))
BDBM50273766
PNG
(CHEMBL526145)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C152H233N41O44/c1-18-79(10)122(149(235)184-105(60-87-34-21-19-22-35-87)137(223)171-83(14)129(215)179-108(63-90-66-163-95-39-26-25-38-93(90)95)140(226)181-104(59-76(4)5)141(227)190-120(77(6)7)147(233)178-97(40-27-30-54-153)131(217)164-68-114(202)172-96(125(157)211)43-33-57-162-152(158)159)192-136(222)102(48-51-113(156)201)177-135(221)99(41-28-31-55-154)174-127(213)81(12)168-126(212)80(11)170-134(220)98(42-29-32-56-161-86(17)199)173-115(203)69-165-133(219)101(50-53-118(207)208)176-138(224)103(58-75(2)3)180-139(225)106(62-89-44-46-92(200)47-45-89)182-144(230)110(71-194)186-146(232)112(73-196)187-148(234)121(78(8)9)191-143(229)109(65-119(209)210)183-145(231)111(72-195)188-151(237)124(85(16)198)193-142(228)107(61-88-36-23-20-24-37-88)185-150(236)123(84(15)197)189-116(204)70-166-132(218)100(49-52-117(205)206)175-128(214)82(13)169-130(216)94(155)64-91-67-160-74-167-91/h19-26,34-39,44-47,66-67,74-85,94,96-112,120-124,163,194-198,200H,18,27-33,40-43,48-65,68-73,153-155H2,1-17H3,(H2,156,201)(H2,157,211)(H,160,167)(H,161,199)(H,164,217)(H,165,219)(H,166,218)(H,168,212)(H,169,216)(H,170,220)(H,171,223)(H,172,202)(H,173,203)(H,174,213)(H,175,214)(H,176,224)(H,177,221)(H,178,233)(H,179,215)(H,180,225)(H,181,226)(H,182,230)(H,183,231)(H,184,235)(H,185,236)(H,186,232)(H,187,234)(H,188,237)(H,189,204)(H,190,227)(H,191,229)(H,192,222)(H,193,228)(H,205,206)(H,207,208)(H,209,210)(H4,158,159,162)/t79-,80-,81-,82-,83-,84+,85+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



University of Texas at Dallas

Curated by ChEMBL


Assay Description
Displacement of [125I]exendin(9-39) from human GLP1R expressed in HEK293 cells


Bioorg Med Chem 16: 10106-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.006
BindingDB Entry DOI: 10.7270/Q2B857ZT
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50273766
PNG
(CHEMBL526145)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C152H233N41O44/c1-18-79(10)122(149(235)184-105(60-87-34-21-19-22-35-87)137(223)171-83(14)129(215)179-108(63-90-66-163-95-39-26-25-38-93(90)95)140(226)181-104(59-76(4)5)141(227)190-120(77(6)7)147(233)178-97(40-27-30-54-153)131(217)164-68-114(202)172-96(125(157)211)43-33-57-162-152(158)159)192-136(222)102(48-51-113(156)201)177-135(221)99(41-28-31-55-154)174-127(213)81(12)168-126(212)80(11)170-134(220)98(42-29-32-56-161-86(17)199)173-115(203)69-165-133(219)101(50-53-118(207)208)176-138(224)103(58-75(2)3)180-139(225)106(62-89-44-46-92(200)47-45-89)182-144(230)110(71-194)186-146(232)112(73-196)187-148(234)121(78(8)9)191-143(229)109(65-119(209)210)183-145(231)111(72-195)188-151(237)124(85(16)198)193-142(228)107(61-88-36-23-20-24-37-88)185-150(236)123(84(15)197)189-116(204)70-166-132(218)100(49-52-117(205)206)175-128(214)82(13)169-130(216)94(155)64-91-67-160-74-167-91/h19-26,34-39,44-47,66-67,74-85,94,96-112,120-124,163,194-198,200H,18,27-33,40-43,48-65,68-73,153-155H2,1-17H3,(H2,156,201)(H2,157,211)(H,160,167)(H,161,199)(H,164,217)(H,165,219)(H,166,218)(H,168,212)(H,169,216)(H,170,220)(H,171,223)(H,172,202)(H,173,203)(H,174,213)(H,175,214)(H,176,224)(H,177,221)(H,178,233)(H,179,215)(H,180,225)(H,181,226)(H,182,230)(H,183,231)(H,184,235)(H,185,236)(H,186,232)(H,187,234)(H,188,237)(H,189,204)(H,190,227)(H,191,229)(H,192,222)(H,193,228)(H,205,206)(H,207,208)(H,209,210)(H4,158,159,162)/t79-,80-,81-,82-,83-,84+,85+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



University of Texas at Dallas

Curated by ChEMBL


Assay Description
Displacement of [125I]exendin(9-39) from human GLP1R expressed in HEK293 cells


Bioorg Med Chem 16: 10106-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.006
BindingDB Entry DOI: 10.7270/Q2B857ZT
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50273766
PNG
(CHEMBL526145)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C152H233N41O44/c1-18-79(10)122(149(235)184-105(60-87-34-21-19-22-35-87)137(223)171-83(14)129(215)179-108(63-90-66-163-95-39-26-25-38-93(90)95)140(226)181-104(59-76(4)5)141(227)190-120(77(6)7)147(233)178-97(40-27-30-54-153)131(217)164-68-114(202)172-96(125(157)211)43-33-57-162-152(158)159)192-136(222)102(48-51-113(156)201)177-135(221)99(41-28-31-55-154)174-127(213)81(12)168-126(212)80(11)170-134(220)98(42-29-32-56-161-86(17)199)173-115(203)69-165-133(219)101(50-53-118(207)208)176-138(224)103(58-75(2)3)180-139(225)106(62-89-44-46-92(200)47-45-89)182-144(230)110(71-194)186-146(232)112(73-196)187-148(234)121(78(8)9)191-143(229)109(65-119(209)210)183-145(231)111(72-195)188-151(237)124(85(16)198)193-142(228)107(61-88-36-23-20-24-37-88)185-150(236)123(84(15)197)189-116(204)70-166-132(218)100(49-52-117(205)206)175-128(214)82(13)169-130(216)94(155)64-91-67-160-74-167-91/h19-26,34-39,44-47,66-67,74-85,94,96-112,120-124,163,194-198,200H,18,27-33,40-43,48-65,68-73,153-155H2,1-17H3,(H2,156,201)(H2,157,211)(H,160,167)(H,161,199)(H,164,217)(H,165,219)(H,166,218)(H,168,212)(H,169,216)(H,170,220)(H,171,223)(H,172,202)(H,173,203)(H,174,213)(H,175,214)(H,176,224)(H,177,221)(H,178,233)(H,179,215)(H,180,225)(H,181,226)(H,182,230)(H,183,231)(H,184,235)(H,185,236)(H,186,232)(H,187,234)(H,188,237)(H,189,204)(H,190,227)(H,191,229)(H,192,222)(H,193,228)(H,205,206)(H,207,208)(H,209,210)(H4,158,159,162)/t79-,80-,81-,82-,83-,84+,85+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,120-,121-,122-,123-,124-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.00282n/an/an/an/a



University of Texas at Dallas

Curated by ChEMBL


Assay Description
Activation of human GLP1R expressed in HEK293 cells assessed as effect on cAMP responsive element promoter driven luciferase expression


Bioorg Med Chem 16: 10106-12 (2008)


Article DOI: 10.1016/j.bmc.2008.10.006
BindingDB Entry DOI: 10.7270/Q2B857ZT
More data for this
Ligand-Target Pair