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BDBM50231888 CHEMBL4081357

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]1CC(=O)NCCCC[C@H](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](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@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)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=VNHDZSKFRHHFSI-HVMWGAIQSA-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 = 50231888   
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))		BDBM50231888
PNG
(CHEMBL4081357)
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]1CC(=O)NCCCC[C@H](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](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@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)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/C156H236N42O46/c1-17-80(10)125(153(242)175-84(14)131(220)184-109(64-90-68-167-95-38-25-24-37-93(90)95)143(232)186-105(60-77(4)5)145(234)195-123(78(6)7)151(240)183-97(39-26-29-55-157)134(223)169-71-117(207)176-96(42-32-58-166-156(162)163)133(222)168-70-115(161)205)197-146(235)107(61-87-33-20-18-21-34-87)188-139(228)102(49-53-120(211)212)180-137(226)98(40-27-30-56-158)177-129(218)82(12)172-128(217)81(11)174-136(225)101(47-51-114(160)204)181-144(233)110-66-116(206)165-57-31-28-41-99(138(227)187-106(63-89-43-45-92(203)46-44-89)142(231)185-104(59-76(2)3)141(230)182-103(140(229)189-110)50-54-121(213)214)179-149(238)112(73-199)192-152(241)124(79(8)9)196-148(237)111(67-122(215)216)190-150(239)113(74-200)193-155(244)127(86(16)202)198-147(236)108(62-88-35-22-19-23-36-88)191-154(243)126(85(15)201)194-118(208)72-170-135(224)100(48-52-119(209)210)178-130(219)83(13)173-132(221)94(159)65-91-69-164-75-171-91/h18-25,33-38,43-46,68-69,75-86,94,96-113,123-127,167,199-203H,17,26-32,39-42,47-67,70-74,157-159H2,1-16H3,(H2,160,204)(H2,161,205)(H,164,171)(H,165,206)(H,168,222)(H,169,223)(H,170,224)(H,172,217)(H,173,221)(H,174,225)(H,175,242)(H,176,207)(H,177,218)(H,178,219)(H,179,238)(H,180,226)(H,181,233)(H,182,230)(H,183,240)(H,184,220)(H,185,231)(H,186,232)(H,187,227)(H,188,228)(H,189,229)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,208)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,162,163,166)/t80-,81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.350n/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))		BDBM50231888
PNG
(CHEMBL4081357)
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]1CC(=O)NCCCC[C@H](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](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@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)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/C156H236N42O46/c1-17-80(10)125(153(242)175-84(14)131(220)184-109(64-90-68-167-95-38-25-24-37-93(90)95)143(232)186-105(60-77(4)5)145(234)195-123(78(6)7)151(240)183-97(39-26-29-55-157)134(223)169-71-117(207)176-96(42-32-58-166-156(162)163)133(222)168-70-115(161)205)197-146(235)107(61-87-33-20-18-21-34-87)188-139(228)102(49-53-120(211)212)180-137(226)98(40-27-30-56-158)177-129(218)82(12)172-128(217)81(11)174-136(225)101(47-51-114(160)204)181-144(233)110-66-116(206)165-57-31-28-41-99(138(227)187-106(63-89-43-45-92(203)46-44-89)142(231)185-104(59-76(2)3)141(230)182-103(140(229)189-110)50-54-121(213)214)179-149(238)112(73-199)192-152(241)124(79(8)9)196-148(237)111(67-122(215)216)190-150(239)113(74-200)193-155(244)127(86(16)202)198-147(236)108(62-88-35-22-19-23-36-88)191-154(243)126(85(15)201)194-118(208)72-170-135(224)100(48-52-119(209)210)178-130(219)83(13)173-132(221)94(159)65-91-69-164-75-171-91/h18-25,33-38,43-46,68-69,75-86,94,96-113,123-127,167,199-203H,17,26-32,39-42,47-67,70-74,157-159H2,1-16H3,(H2,160,204)(H2,161,205)(H,164,171)(H,165,206)(H,168,222)(H,169,223)(H,170,224)(H,172,217)(H,173,221)(H,174,225)(H,175,242)(H,176,207)(H,177,218)(H,178,219)(H,179,238)(H,180,226)(H,181,233)(H,182,230)(H,183,240)(H,184,220)(H,185,231)(H,186,232)(H,187,227)(H,188,228)(H,189,229)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,208)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,162,163,166)/t80-,81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 0.0500n/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))		BDBM50231888
PNG
(CHEMBL4081357)
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]1CC(=O)NCCCC[C@H](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](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@@H](C)O)C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)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/C156H236N42O46/c1-17-80(10)125(153(242)175-84(14)131(220)184-109(64-90-68-167-95-38-25-24-37-93(90)95)143(232)186-105(60-77(4)5)145(234)195-123(78(6)7)151(240)183-97(39-26-29-55-157)134(223)169-71-117(207)176-96(42-32-58-166-156(162)163)133(222)168-70-115(161)205)197-146(235)107(61-87-33-20-18-21-34-87)188-139(228)102(49-53-120(211)212)180-137(226)98(40-27-30-56-158)177-129(218)82(12)172-128(217)81(11)174-136(225)101(47-51-114(160)204)181-144(233)110-66-116(206)165-57-31-28-41-99(138(227)187-106(63-89-43-45-92(203)46-44-89)142(231)185-104(59-76(2)3)141(230)182-103(140(229)189-110)50-54-121(213)214)179-149(238)112(73-199)192-152(241)124(79(8)9)196-148(237)111(67-122(215)216)190-150(239)113(74-200)193-155(244)127(86(16)202)198-147(236)108(62-88-35-22-19-23-36-88)191-154(243)126(85(15)201)194-118(208)72-170-135(224)100(48-52-119(209)210)178-130(219)83(13)173-132(221)94(159)65-91-69-164-75-171-91/h18-25,33-38,43-46,68-69,75-86,94,96-113,123-127,167,199-203H,17,26-32,39-42,47-67,70-74,157-159H2,1-16H3,(H2,160,204)(H2,161,205)(H,164,171)(H,165,206)(H,168,222)(H,169,223)(H,170,224)(H,172,217)(H,173,221)(H,174,225)(H,175,242)(H,176,207)(H,177,218)(H,178,219)(H,179,238)(H,180,226)(H,181,233)(H,182,230)(H,183,240)(H,184,220)(H,185,231)(H,186,232)(H,187,227)(H,188,228)(H,189,229)(H,190,239)(H,191,243)(H,192,241)(H,193,244)(H,194,208)(H,195,234)(H,196,237)(H,197,235)(H,198,236)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,162,163,166)/t80-,81-,82-,83-,84-,85+,86+,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 4.5n/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