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BDBM50231897 CHEMBL4102787

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)[C@@H]1CCCN1C(=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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

InChI Key: InChIKey=AZZPSHJAAYDOGZ-XPBRTVITSA-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 = 50231897   
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))		BDBM50231897
PNG
(CHEMBL4102787)
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)[C@@H]1CCCN1C(=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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C155H231N41O47/c1-16-79(10)124(151(240)178-96-38-26-28-54-163-115(205)64-107(133(222)168-69-116(206)173-94(39-29-55-164-155(160)161)131(220)166-68-114(159)204)187-149(238)122(77(6)7)192-141(230)102(58-76(4)5)181-140(229)106(184-136(96)225)62-88-66-165-93-36-24-23-35-91(88)93)194-142(231)104(59-85-31-19-17-20-32-85)182-137(226)99(47-51-119(210)211)176-135(224)95(37-25-27-53-156)174-128(217)81(12)170-127(216)80(11)172-134(223)98(45-49-113(158)203)177-148(237)112-40-30-56-196(112)154(243)100(48-52-120(212)213)179-138(227)101(57-75(2)3)180-139(228)103(61-87-41-43-90(202)44-42-87)183-145(234)109(71-197)188-147(236)111(73-199)189-150(239)123(78(8)9)193-144(233)108(65-121(214)215)185-146(235)110(72-198)190-153(242)126(84(15)201)195-143(232)105(60-86-33-21-18-22-34-86)186-152(241)125(83(14)200)191-117(207)70-167-132(221)97(46-50-118(208)209)175-129(218)82(13)171-130(219)92(157)63-89-67-162-74-169-89/h17-24,31-36,41-44,66-67,74-84,92,94-112,122-126,165,197-202H,16,25-30,37-40,45-65,68-73,156-157H2,1-15H3,(H2,158,203)(H2,159,204)(H,162,169)(H,163,205)(H,166,220)(H,167,221)(H,168,222)(H,170,216)(H,171,219)(H,172,223)(H,173,206)(H,174,217)(H,175,218)(H,176,224)(H,177,237)(H,178,240)(H,179,227)(H,180,228)(H,181,229)(H,182,226)(H,183,234)(H,184,225)(H,185,235)(H,186,241)(H,187,238)(H,188,236)(H,189,239)(H,190,242)(H,191,207)(H,192,230)(H,193,233)(H,194,231)(H,195,232)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,122-,123-,124-,125-,126-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 18n/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))		BDBM50231897
PNG
(CHEMBL4102787)
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)[C@@H]1CCCN1C(=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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C155H231N41O47/c1-16-79(10)124(151(240)178-96-38-26-28-54-163-115(205)64-107(133(222)168-69-116(206)173-94(39-29-55-164-155(160)161)131(220)166-68-114(159)204)187-149(238)122(77(6)7)192-141(230)102(58-76(4)5)181-140(229)106(184-136(96)225)62-88-66-165-93-36-24-23-35-91(88)93)194-142(231)104(59-85-31-19-17-20-32-85)182-137(226)99(47-51-119(210)211)176-135(224)95(37-25-27-53-156)174-128(217)81(12)170-127(216)80(11)172-134(223)98(45-49-113(158)203)177-148(237)112-40-30-56-196(112)154(243)100(48-52-120(212)213)179-138(227)101(57-75(2)3)180-139(228)103(61-87-41-43-90(202)44-42-87)183-145(234)109(71-197)188-147(236)111(73-199)189-150(239)123(78(8)9)193-144(233)108(65-121(214)215)185-146(235)110(72-198)190-153(242)126(84(15)201)195-143(232)105(60-86-33-21-18-22-34-86)186-152(241)125(83(14)200)191-117(207)70-167-132(221)97(46-50-118(208)209)175-129(218)82(13)171-130(219)92(157)63-89-67-162-74-169-89/h17-24,31-36,41-44,66-67,74-84,92,94-112,122-126,165,197-202H,16,25-30,37-40,45-65,68-73,156-157H2,1-15H3,(H2,158,203)(H2,159,204)(H,162,169)(H,163,205)(H,166,220)(H,167,221)(H,168,222)(H,170,216)(H,171,219)(H,172,223)(H,173,206)(H,174,217)(H,175,218)(H,176,224)(H,177,237)(H,178,240)(H,179,227)(H,180,228)(H,181,229)(H,182,226)(H,183,234)(H,184,225)(H,185,235)(H,186,241)(H,187,238)(H,188,236)(H,189,239)(H,190,242)(H,191,207)(H,192,230)(H,193,233)(H,194,231)(H,195,232)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,122-,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 0.350n/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))		BDBM50231897
PNG
(CHEMBL4102787)
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)[C@@H]1CCCN1C(=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]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C155H231N41O47/c1-16-79(10)124(151(240)178-96-38-26-28-54-163-115(205)64-107(133(222)168-69-116(206)173-94(39-29-55-164-155(160)161)131(220)166-68-114(159)204)187-149(238)122(77(6)7)192-141(230)102(58-76(4)5)181-140(229)106(184-136(96)225)62-88-66-165-93-36-24-23-35-91(88)93)194-142(231)104(59-85-31-19-17-20-32-85)182-137(226)99(47-51-119(210)211)176-135(224)95(37-25-27-53-156)174-128(217)81(12)170-127(216)80(11)172-134(223)98(45-49-113(158)203)177-148(237)112-40-30-56-196(112)154(243)100(48-52-120(212)213)179-138(227)101(57-75(2)3)180-139(228)103(61-87-41-43-90(202)44-42-87)183-145(234)109(71-197)188-147(236)111(73-199)189-150(239)123(78(8)9)193-144(233)108(65-121(214)215)185-146(235)110(72-198)190-153(242)126(84(15)201)195-143(232)105(60-86-33-21-18-22-34-86)186-152(241)125(83(14)200)191-117(207)70-167-132(221)97(46-50-118(208)209)175-129(218)82(13)171-130(219)92(157)63-89-67-162-74-169-89/h17-24,31-36,41-44,66-67,74-84,92,94-112,122-126,165,197-202H,16,25-30,37-40,45-65,68-73,156-157H2,1-15H3,(H2,158,203)(H2,159,204)(H,162,169)(H,163,205)(H,166,220)(H,167,221)(H,168,222)(H,170,216)(H,171,219)(H,172,223)(H,173,206)(H,174,217)(H,175,218)(H,176,224)(H,177,237)(H,178,240)(H,179,227)(H,180,228)(H,181,229)(H,182,226)(H,183,234)(H,184,225)(H,185,235)(H,186,241)(H,187,238)(H,188,236)(H,189,239)(H,190,242)(H,191,207)(H,192,230)(H,193,233)(H,194,231)(H,195,232)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,160,161,164)/t79-,80-,81-,82-,83+,84+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,122-,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 33n/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