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BDBM50275566 CHEMBL4128276

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](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](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)=O

InChI Key: InChIKey=NGJOFQZEYQGZMB-KTKZVXAJSA-N

Data: 4 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 4 hits for monomerid = 50275566   
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


(Macaca fascicularis)		BDBM50275566
PNG
(CHEMBL4128276)
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](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](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)=O |r|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)125(210)174-104(60-86-63-158-91-36-25-24-35-89(86)91)135(220)176-100(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-66-111(197)168-98(148(233)234)39-30-54-157-149(154)155)187-137(222)102(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-123(208)78(12)163-122(207)77(11)165-130(215)96(44-48-109(153)195)167-110(196)65-160-129(214)95(46-50-114(201)202)171-133(218)99(55-72(2)3)175-134(219)101(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)105(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)103(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)79(13)164-126(211)90(152)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,158,189-194H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,195)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,163,207)(H,164,211)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,208)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,210)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem

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n/an/an/an/a 1.10n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))		BDBM50275566
PNG
(CHEMBL4128276)
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](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](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)=O |r|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)125(210)174-104(60-86-63-158-91-36-25-24-35-89(86)91)135(220)176-100(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-66-111(197)168-98(148(233)234)39-30-54-157-149(154)155)187-137(222)102(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-123(208)78(12)163-122(207)77(11)165-130(215)96(44-48-109(153)195)167-110(196)65-160-129(214)95(46-50-114(201)202)171-133(218)99(55-72(2)3)175-134(219)101(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)105(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)103(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)79(13)164-126(211)90(152)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,158,189-194H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,195)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,163,207)(H,164,211)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,208)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,210)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))		BDBM50275566
PNG
(CHEMBL4128276)
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](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](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)=O |r|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)125(210)174-104(60-86-63-158-91-36-25-24-35-89(86)91)135(220)176-100(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-66-111(197)168-98(148(233)234)39-30-54-157-149(154)155)187-137(222)102(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-123(208)78(12)163-122(207)77(11)165-130(215)96(44-48-109(153)195)167-110(196)65-160-129(214)95(46-50-114(201)202)171-133(218)99(55-72(2)3)175-134(219)101(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)105(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)103(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)79(13)164-126(211)90(152)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,158,189-194H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,195)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,163,207)(H,164,211)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,208)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,210)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GIP receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))		BDBM50275566
PNG
(CHEMBL4128276)
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](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](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)=O |r|
Show InChI InChI=1S/C149H225N39O46/c1-17-76(10)119(145(230)166-80(14)125(210)174-104(60-86-63-158-91-36-25-24-35-89(86)91)135(220)176-100(56-73(4)5)136(221)185-117(74(6)7)143(228)173-92(37-26-28-52-150)127(212)159-66-111(197)168-98(148(233)234)39-30-54-157-149(154)155)187-137(222)102(57-83-31-20-18-21-32-83)177-132(217)97(47-51-115(203)204)172-131(216)93(38-27-29-53-151)169-123(208)78(12)163-122(207)77(11)165-130(215)96(44-48-109(153)195)167-110(196)65-160-129(214)95(46-50-114(201)202)171-133(218)99(55-72(2)3)175-134(219)101(59-85-40-42-88(194)43-41-85)178-140(225)106(68-189)181-142(227)108(70-191)182-144(229)118(75(8)9)186-139(224)105(62-116(205)206)179-141(226)107(69-190)183-147(232)121(82(16)193)188-138(223)103(58-84-33-22-19-23-34-84)180-146(231)120(81(15)192)184-112(198)67-161-128(213)94(45-49-113(199)200)170-124(209)79(13)164-126(211)90(152)61-87-64-156-71-162-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,158,189-194H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,195)(H,156,162)(H,159,212)(H,160,214)(H,161,213)(H,163,207)(H,164,211)(H,165,215)(H,166,230)(H,167,196)(H,168,197)(H,169,208)(H,170,209)(H,171,218)(H,172,216)(H,173,228)(H,174,210)(H,175,219)(H,176,220)(H,177,217)(H,178,225)(H,179,226)(H,180,231)(H,181,227)(H,182,229)(H,183,232)(H,184,198)(H,185,221)(H,186,224)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,233,234)(H4,154,155,157)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>1n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human glucagon receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay

J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair