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BDBM50231884 CHEMBL4094078

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](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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)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=NCBWSPITXWVPMW-DQURJSKKSA-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 = 50231884   
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))		BDBM50231884
PNG
(CHEMBL4094078)
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](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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)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/C150H232N42O47/c1-16-76(10)120(147(237)169-79(13)125(215)179-103(59-84-62-161-89-32-21-20-31-87(84)89)138(228)181-100(56-73(4)5)139(229)189-118(74(6)7)145(235)177-91(33-22-25-51-151)128(218)163-65-111(202)170-90(36-28-54-160-150(156)157)127(217)162-64-109(155)200)191-140(230)102(57-82-29-18-17-19-30-82)182-134(224)98(45-50-116(209)210)176-132(222)92(34-23-26-52-152)172-124(214)78(12)167-123(213)77(11)168-131(221)96(41-46-108(154)199)171-112(203)66-164-130(220)95(44-49-115(207)208)175-136(226)99(55-72(2)3)180-137(227)101(58-83-37-39-86(198)40-38-83)183-142(232)105(68-193)185-144(234)107(70-195)186-146(236)119(75(8)9)190-141(231)104(61-117(211)212)184-143(233)106(69-194)187-149(239)122(81(15)197)192-135(225)97-42-47-110(201)159-53-27-24-35-93(173-126(216)88(153)60-85-63-158-71-166-85)133(223)174-94(43-48-114(205)206)129(219)165-67-113(204)188-121(80(14)196)148(238)178-97/h17-21,29-32,37-40,62-63,71-81,88,90-107,118-122,161,193-198H,16,22-28,33-36,41-61,64-70,151-153H2,1-15H3,(H2,154,199)(H2,155,200)(H,158,166)(H,159,201)(H,162,217)(H,163,218)(H,164,220)(H,165,219)(H,167,213)(H,168,221)(H,169,237)(H,170,202)(H,171,203)(H,172,214)(H,173,216)(H,174,223)(H,175,226)(H,176,222)(H,177,235)(H,178,238)(H,179,215)(H,180,227)(H,181,228)(H,182,224)(H,183,232)(H,184,233)(H,185,234)(H,186,236)(H,187,239)(H,188,204)(H,189,229)(H,190,231)(H,191,230)(H,192,225)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,156,157,160)/t76-,77-,78-,79-,80+,81+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-,120-,121-,122-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>50n/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))		BDBM50231884
PNG
(CHEMBL4094078)
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](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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)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/C150H232N42O47/c1-16-76(10)120(147(237)169-79(13)125(215)179-103(59-84-62-161-89-32-21-20-31-87(84)89)138(228)181-100(56-73(4)5)139(229)189-118(74(6)7)145(235)177-91(33-22-25-51-151)128(218)163-65-111(202)170-90(36-28-54-160-150(156)157)127(217)162-64-109(155)200)191-140(230)102(57-82-29-18-17-19-30-82)182-134(224)98(45-50-116(209)210)176-132(222)92(34-23-26-52-152)172-124(214)78(12)167-123(213)77(11)168-131(221)96(41-46-108(154)199)171-112(203)66-164-130(220)95(44-49-115(207)208)175-136(226)99(55-72(2)3)180-137(227)101(58-83-37-39-86(198)40-38-83)183-142(232)105(68-193)185-144(234)107(70-195)186-146(236)119(75(8)9)190-141(231)104(61-117(211)212)184-143(233)106(69-194)187-149(239)122(81(15)197)192-135(225)97-42-47-110(201)159-53-27-24-35-93(173-126(216)88(153)60-85-63-158-71-166-85)133(223)174-94(43-48-114(205)206)129(219)165-67-113(204)188-121(80(14)196)148(238)178-97/h17-21,29-32,37-40,62-63,71-81,88,90-107,118-122,161,193-198H,16,22-28,33-36,41-61,64-70,151-153H2,1-15H3,(H2,154,199)(H2,155,200)(H,158,166)(H,159,201)(H,162,217)(H,163,218)(H,164,220)(H,165,219)(H,167,213)(H,168,221)(H,169,237)(H,170,202)(H,171,203)(H,172,214)(H,173,216)(H,174,223)(H,175,226)(H,176,222)(H,177,235)(H,178,238)(H,179,215)(H,180,227)(H,181,228)(H,182,224)(H,183,232)(H,184,233)(H,185,234)(H,186,236)(H,187,239)(H,188,204)(H,189,229)(H,190,231)(H,191,230)(H,192,225)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,156,157,160)/t76-,77-,78-,79-,80+,81+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-,120-,121-,122-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 700n/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
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50231884
PNG
(CHEMBL4094078)
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](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]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)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/C150H232N42O47/c1-16-76(10)120(147(237)169-79(13)125(215)179-103(59-84-62-161-89-32-21-20-31-87(84)89)138(228)181-100(56-73(4)5)139(229)189-118(74(6)7)145(235)177-91(33-22-25-51-151)128(218)163-65-111(202)170-90(36-28-54-160-150(156)157)127(217)162-64-109(155)200)191-140(230)102(57-82-29-18-17-19-30-82)182-134(224)98(45-50-116(209)210)176-132(222)92(34-23-26-52-152)172-124(214)78(12)167-123(213)77(11)168-131(221)96(41-46-108(154)199)171-112(203)66-164-130(220)95(44-49-115(207)208)175-136(226)99(55-72(2)3)180-137(227)101(58-83-37-39-86(198)40-38-83)183-142(232)105(68-193)185-144(234)107(70-195)186-146(236)119(75(8)9)190-141(231)104(61-117(211)212)184-143(233)106(69-194)187-149(239)122(81(15)197)192-135(225)97-42-47-110(201)159-53-27-24-35-93(173-126(216)88(153)60-85-63-158-71-166-85)133(223)174-94(43-48-114(205)206)129(219)165-67-113(204)188-121(80(14)196)148(238)178-97/h17-21,29-32,37-40,62-63,71-81,88,90-107,118-122,161,193-198H,16,22-28,33-36,41-61,64-70,151-153H2,1-15H3,(H2,154,199)(H2,155,200)(H,158,166)(H,159,201)(H,162,217)(H,163,218)(H,164,220)(H,165,219)(H,167,213)(H,168,221)(H,169,237)(H,170,202)(H,171,203)(H,172,214)(H,173,216)(H,174,223)(H,175,226)(H,176,222)(H,177,235)(H,178,238)(H,179,215)(H,180,227)(H,181,228)(H,182,224)(H,183,232)(H,184,233)(H,185,234)(H,186,236)(H,187,239)(H,188,204)(H,189,229)(H,190,231)(H,191,230)(H,192,225)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,156,157,160)/t76-,77-,78-,79-,80+,81+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-,120-,121-,122-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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