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BDBM50231946 CHEMBL4086317

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=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]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)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(=O)NCC(N)=O

InChI Key: InChIKey=ZRECLGSRJGWTGF-PVGXVSIXSA-N

Data: 1 KI  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 3 hits for monomerid = 50231946   
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-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231946
PNG
(CHEMBL4086317)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=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]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)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(=O)NCC(N)=O |r|
Show InChI InChI=1S/C154H232N42O45/c1-16-80(10)125(152(240)174-84(14)130(218)183-108(63-89-67-165-94-37-24-23-36-92(89)94)143(231)185-104(59-77(4)5)145(233)194-123(78(6)7)150(238)182-96(38-25-28-54-155)133(221)167-70-116(204)175-95(41-31-57-164-154(160)161)132(220)166-69-114(159)202)196-146(234)107(61-87-34-21-18-22-35-87)186-139(227)102(49-53-121(211)212)181-137(225)97(39-26-29-55-156)177-128(216)82(12)171-127(215)81(11)173-136(224)101(46-50-113(158)201)176-117(205)71-168-135(223)100(48-52-120(209)210)180-140(228)103(58-76(2)3)184-142(230)105(62-88-42-44-91(200)45-43-88)187-148(236)112(74-198)192-144(232)109-65-115(203)163-56-30-27-40-98(138(226)191-111(73-197)149(237)188-110(66-122(213)214)147(235)195-124(79(8)9)151(239)190-109)179-141(229)106(60-86-32-19-17-20-33-86)189-153(241)126(85(15)199)193-118(206)72-169-134(222)99(47-51-119(207)208)178-129(217)83(13)172-131(219)93(157)64-90-68-162-75-170-90/h17-24,32-37,42-45,67-68,75-85,93,95-112,123-126,165,197-200H,16,25-31,38-41,46-66,69-74,155-157H2,1-15H3,(H2,158,201)(H2,159,202)(H,162,170)(H,163,203)(H,166,220)(H,167,221)(H,168,223)(H,169,222)(H,171,215)(H,172,219)(H,173,224)(H,174,240)(H,175,204)(H,176,205)(H,177,216)(H,178,217)(H,179,229)(H,180,228)(H,181,225)(H,182,238)(H,183,218)(H,184,230)(H,185,231)(H,186,227)(H,187,236)(H,188,237)(H,189,241)(H,190,239)(H,191,226)(H,192,232)(H,193,206)(H,194,233)(H,195,235)(H,196,234)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,160,161,164)/t80-,81-,82-,83-,84-,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 16n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...

Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231946
PNG
(CHEMBL4086317)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=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]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)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(=O)NCC(N)=O |r|
Show InChI InChI=1S/C154H232N42O45/c1-16-80(10)125(152(240)174-84(14)130(218)183-108(63-89-67-165-94-37-24-23-36-92(89)94)143(231)185-104(59-77(4)5)145(233)194-123(78(6)7)150(238)182-96(38-25-28-54-155)133(221)167-70-116(204)175-95(41-31-57-164-154(160)161)132(220)166-69-114(159)202)196-146(234)107(61-87-34-21-18-22-35-87)186-139(227)102(49-53-121(211)212)181-137(225)97(39-26-29-55-156)177-128(216)82(12)171-127(215)81(11)173-136(224)101(46-50-113(158)201)176-117(205)71-168-135(223)100(48-52-120(209)210)180-140(228)103(58-76(2)3)184-142(230)105(62-88-42-44-91(200)45-43-88)187-148(236)112(74-198)192-144(232)109-65-115(203)163-56-30-27-40-98(138(226)191-111(73-197)149(237)188-110(66-122(213)214)147(235)195-124(79(8)9)151(239)190-109)179-141(229)106(60-86-32-19-17-20-33-86)189-153(241)126(85(15)199)193-118(206)72-169-134(222)99(47-51-119(207)208)178-129(217)83(13)172-131(219)93(157)64-90-68-162-75-170-90/h17-24,32-37,42-45,67-68,75-85,93,95-112,123-126,165,197-200H,16,25-31,38-41,46-66,69-74,155-157H2,1-15H3,(H2,158,201)(H2,159,202)(H,162,170)(H,163,203)(H,166,220)(H,167,221)(H,168,223)(H,169,222)(H,171,215)(H,172,219)(H,173,224)(H,174,240)(H,175,204)(H,176,205)(H,177,216)(H,178,217)(H,179,229)(H,180,228)(H,181,225)(H,182,238)(H,183,218)(H,184,230)(H,185,231)(H,186,227)(H,187,236)(H,188,237)(H,189,241)(H,190,239)(H,191,226)(H,192,232)(H,193,206)(H,194,233)(H,195,235)(H,196,234)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,160,161,164)/t80-,81-,82-,83-,84-,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHOK1 cells assessed as induction of beta-galactosidase-tagged beta-arrestin2 recruitment incubated for ...

Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231946
PNG
(CHEMBL4086317)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=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]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)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(=O)NCC(N)=O |r|
Show InChI InChI=1S/C154H232N42O45/c1-16-80(10)125(152(240)174-84(14)130(218)183-108(63-89-67-165-94-37-24-23-36-92(89)94)143(231)185-104(59-77(4)5)145(233)194-123(78(6)7)150(238)182-96(38-25-28-54-155)133(221)167-70-116(204)175-95(41-31-57-164-154(160)161)132(220)166-69-114(159)202)196-146(234)107(61-87-34-21-18-22-35-87)186-139(227)102(49-53-121(211)212)181-137(225)97(39-26-29-55-156)177-128(216)82(12)171-127(215)81(11)173-136(224)101(46-50-113(158)201)176-117(205)71-168-135(223)100(48-52-120(209)210)180-140(228)103(58-76(2)3)184-142(230)105(62-88-42-44-91(200)45-43-88)187-148(236)112(74-198)192-144(232)109-65-115(203)163-56-30-27-40-98(138(226)191-111(73-197)149(237)188-110(66-122(213)214)147(235)195-124(79(8)9)151(239)190-109)179-141(229)106(60-86-32-19-17-20-33-86)189-153(241)126(85(15)199)193-118(206)72-169-134(222)99(47-51-119(207)208)178-129(217)83(13)172-131(219)93(157)64-90-68-162-75-170-90/h17-24,32-37,42-45,67-68,75-85,93,95-112,123-126,165,197-200H,16,25-31,38-41,46-66,69-74,155-157H2,1-15H3,(H2,158,201)(H2,159,202)(H,162,170)(H,163,203)(H,166,220)(H,167,221)(H,168,223)(H,169,222)(H,171,215)(H,172,219)(H,173,224)(H,174,240)(H,175,204)(H,176,205)(H,177,216)(H,178,217)(H,179,229)(H,180,228)(H,181,225)(H,182,238)(H,183,218)(H,184,230)(H,185,231)(H,186,227)(H,187,236)(H,188,237)(H,189,241)(H,190,239)(H,191,226)(H,192,232)(H,193,206)(H,194,233)(H,195,235)(H,196,234)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,160,161,164)/t80-,81-,82-,83-,84-,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 18n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay

Eur J Med Chem 127: 703-714 (2017)


BindingDB Entry DOI: 10.7270/Q2T155W1
More data for this
Ligand-Target Pair