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BDBM50324706 (2S,4S,7S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,46S)-46-((4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,44R)-28-((1H-indol-3-yl)methyl)-37-(2-amino-2-oxoethyl)-13,25-bis(3-amino-3-oxopropyl)-19-benzyl-43-carbamoyl-16-(carboxymethyl)-4,7-bis(3-guanidinopropyl)-44-hydroxy-40-((R)-1-hydroxyethyl)-31-isobutyl-22-isopropyl-10-methyl-34-(2-(methylthio)ethyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazapentatetracontyl)-7-(3-amino::CHEMBL1222080

SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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(N)=O)NC(=O)[C@H](CO)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=DFMHJIUHWJFNMK-LIQDNVKHSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324706   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50324706
PNG
((2S,4S,7S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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(N)=O)NC(=O)[C@H](CO)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C156H229N43O50S/c1-74(2)54-99(138(232)181-98(49-53-250-11)136(230)189-106(63-117(161)211)147(241)198-125(78(8)203)128(162)222)184-142(236)105(60-85-67-170-91-29-19-18-28-90(85)91)188-135(229)97(44-47-116(160)210)182-151(245)124(76(5)6)197-145(239)103(56-81-24-14-12-15-25-81)187-143(237)108(65-122(218)219)190-134(228)96(43-46-115(159)209)177-129(223)77(7)173-131(225)94(32-23-52-169-156(165)166)178-132(226)92(31-22-51-168-155(163)164)176-118(212)62-86(37-48-120(214)215)174-137(231)107(64-121(216)217)191-139(233)100(55-75(3)4)183-140(234)101(58-83-33-38-88(206)39-34-83)185-133(227)93(30-20-21-50-157)179-149(243)112(71-201)194-141(235)102(59-84-35-40-89(207)41-36-84)186-144(238)109(66-123(220)221)192-150(244)113(72-202)195-153(247)127(80(10)205)199-146(240)104(57-82-26-16-13-17-27-82)193-152(246)126(79(9)204)196-119(213)69-171-130(224)95(42-45-114(158)208)180-148(242)111(70-200)175-110(154(248)249)61-87-68-167-73-172-87/h12-19,24-29,33-36,38-41,67-68,73-80,86,92-113,124-127,170,175,200-207H,20-23,30-32,37,42-66,69-72,157H2,1-11H3,(H2,158,208)(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,222)(H,167,172)(H,171,224)(H,173,225)(H,174,231)(H,176,212)(H,177,223)(H,178,226)(H,179,243)(H,180,242)(H,181,232)(H,182,245)(H,183,234)(H,184,236)(H,185,227)(H,186,238)(H,187,237)(H,188,229)(H,189,230)(H,190,228)(H,191,233)(H,192,244)(H,193,246)(H,194,235)(H,195,247)(H,196,213)(H,197,239)(H,198,241)(H,199,240)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,248,249)(H4,163,164,168)(H4,165,166,169)/t77-,78+,79+,80+,86-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0540n/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Agonist activity at GCGR expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay


Nat Chem Biol 5: 749-57 (2009)


Article DOI: 10.1038/nchembio.209
BindingDB Entry DOI: 10.7270/Q2WW7JNF
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor (GLP-1)


(Homo sapiens (Human))
BDBM50324706
PNG
((2S,4S,7S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S,...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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(N)=O)NC(=O)[C@H](CO)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C156H229N43O50S/c1-74(2)54-99(138(232)181-98(49-53-250-11)136(230)189-106(63-117(161)211)147(241)198-125(78(8)203)128(162)222)184-142(236)105(60-85-67-170-91-29-19-18-28-90(85)91)188-135(229)97(44-47-116(160)210)182-151(245)124(76(5)6)197-145(239)103(56-81-24-14-12-15-25-81)187-143(237)108(65-122(218)219)190-134(228)96(43-46-115(159)209)177-129(223)77(7)173-131(225)94(32-23-52-169-156(165)166)178-132(226)92(31-22-51-168-155(163)164)176-118(212)62-86(37-48-120(214)215)174-137(231)107(64-121(216)217)191-139(233)100(55-75(3)4)183-140(234)101(58-83-33-38-88(206)39-34-83)185-133(227)93(30-20-21-50-157)179-149(243)112(71-201)194-141(235)102(59-84-35-40-89(207)41-36-84)186-144(238)109(66-123(220)221)192-150(244)113(72-202)195-153(247)127(80(10)205)199-146(240)104(57-82-26-16-13-17-27-82)193-152(246)126(79(9)204)196-119(213)69-171-130(224)95(42-45-114(158)208)180-148(242)111(70-200)175-110(154(248)249)61-87-68-167-73-172-87/h12-19,24-29,33-36,38-41,67-68,73-80,86,92-113,124-127,170,175,200-207H,20-23,30-32,37,42-66,69-72,157H2,1-11H3,(H2,158,208)(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,222)(H,167,172)(H,171,224)(H,173,225)(H,174,231)(H,176,212)(H,177,223)(H,178,226)(H,179,243)(H,180,242)(H,181,232)(H,182,245)(H,183,234)(H,184,236)(H,185,227)(H,186,238)(H,187,237)(H,188,229)(H,189,230)(H,190,228)(H,191,233)(H,192,244)(H,193,246)(H,194,235)(H,195,247)(H,196,213)(H,197,239)(H,198,241)(H,199,240)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,248,249)(H4,163,164,168)(H4,165,166,169)/t77-,78+,79+,80+,86-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.130n/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Agonist activity at GLP1R expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay


Nat Chem Biol 5: 749-57 (2009)


Article DOI: 10.1038/nchembio.209
BindingDB Entry DOI: 10.7270/Q2WW7JNF
More data for this
Ligand-Target Pair