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BDBM50231947 CHEMBL4062134

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]1CC(=O)NCCCC[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(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)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=GYVCTSITWIYTAL-OZIHTAMMSA-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 = 50231947   
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))		BDBM50231947
PNG
(CHEMBL4062134)
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]1CC(=O)NCCCC[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(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)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/C151H222N42O48/c1-12-75(6)121(148(239)178-93-36-23-26-51-159-111(202)60-103(131(222)166-67-113(204)171-90(37-27-53-161-151(156)157)128(219)163-65-110(155)201)186-147(238)120(74(4)5)191-141(232)98(54-73(2)3)179-138(229)102(182-134(93)225)58-84-63-162-89-33-20-19-32-87(84)89)192-142(233)100(55-81-28-15-13-16-29-81)180-136(227)97(45-49-118(211)212)177-133(224)91(34-21-24-50-152)173-125(216)77(8)168-124(215)76(7)170-132(223)96(42-46-109(154)200)172-114(205)66-164-130(221)95(44-48-117(209)210)176-139(230)104-61-112(203)160-52-25-22-35-92(135(226)187-107(70-195)146(237)188-106(69-194)144(235)181-99(137(228)183-104)57-83-38-40-86(199)41-39-83)175-140(231)105(62-119(213)214)184-145(236)108(71-196)189-150(241)123(80(11)198)193-143(234)101(56-82-30-17-14-18-31-82)185-149(240)122(79(10)197)190-115(206)68-165-129(220)94(43-47-116(207)208)174-126(217)78(9)169-127(218)88(153)59-85-64-158-72-167-85/h13-20,28-33,38-41,63-64,72-80,88,90-108,120-123,162,194-199H,12,21-27,34-37,42-62,65-71,152-153H2,1-11H3,(H2,154,200)(H2,155,201)(H,158,167)(H,159,202)(H,160,203)(H,163,219)(H,164,221)(H,165,220)(H,166,222)(H,168,215)(H,169,218)(H,170,223)(H,171,204)(H,172,205)(H,173,216)(H,174,217)(H,175,231)(H,176,230)(H,177,224)(H,178,239)(H,179,229)(H,180,227)(H,181,235)(H,182,225)(H,183,228)(H,184,236)(H,185,240)(H,186,238)(H,187,226)(H,188,237)(H,189,241)(H,190,206)(H,191,232)(H,192,233)(H,193,234)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,156,157,161)/t75-,76-,77-,78-,79+,80+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.40n/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))		BDBM50231947
PNG
(CHEMBL4062134)
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]1CC(=O)NCCCC[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(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)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/C151H222N42O48/c1-12-75(6)121(148(239)178-93-36-23-26-51-159-111(202)60-103(131(222)166-67-113(204)171-90(37-27-53-161-151(156)157)128(219)163-65-110(155)201)186-147(238)120(74(4)5)191-141(232)98(54-73(2)3)179-138(229)102(182-134(93)225)58-84-63-162-89-33-20-19-32-87(84)89)192-142(233)100(55-81-28-15-13-16-29-81)180-136(227)97(45-49-118(211)212)177-133(224)91(34-21-24-50-152)173-125(216)77(8)168-124(215)76(7)170-132(223)96(42-46-109(154)200)172-114(205)66-164-130(221)95(44-48-117(209)210)176-139(230)104-61-112(203)160-52-25-22-35-92(135(226)187-107(70-195)146(237)188-106(69-194)144(235)181-99(137(228)183-104)57-83-38-40-86(199)41-39-83)175-140(231)105(62-119(213)214)184-145(236)108(71-196)189-150(241)123(80(11)198)193-143(234)101(56-82-30-17-14-18-31-82)185-149(240)122(79(10)197)190-115(206)68-165-129(220)94(43-47-116(207)208)174-126(217)78(9)169-127(218)88(153)59-85-64-158-72-167-85/h13-20,28-33,38-41,63-64,72-80,88,90-108,120-123,162,194-199H,12,21-27,34-37,42-62,65-71,152-153H2,1-11H3,(H2,154,200)(H2,155,201)(H,158,167)(H,159,202)(H,160,203)(H,163,219)(H,164,221)(H,165,220)(H,166,222)(H,168,215)(H,169,218)(H,170,223)(H,171,204)(H,172,205)(H,173,216)(H,174,217)(H,175,231)(H,176,230)(H,177,224)(H,178,239)(H,179,229)(H,180,227)(H,181,235)(H,182,225)(H,183,228)(H,184,236)(H,185,240)(H,186,238)(H,187,226)(H,188,237)(H,189,241)(H,190,206)(H,191,232)(H,192,233)(H,193,234)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,156,157,161)/t75-,76-,77-,78-,79+,80+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 0.0210n/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))		BDBM50231947
PNG
(CHEMBL4062134)
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]1CC(=O)NCCCC[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(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)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/C151H222N42O48/c1-12-75(6)121(148(239)178-93-36-23-26-51-159-111(202)60-103(131(222)166-67-113(204)171-90(37-27-53-161-151(156)157)128(219)163-65-110(155)201)186-147(238)120(74(4)5)191-141(232)98(54-73(2)3)179-138(229)102(182-134(93)225)58-84-63-162-89-33-20-19-32-87(84)89)192-142(233)100(55-81-28-15-13-16-29-81)180-136(227)97(45-49-118(211)212)177-133(224)91(34-21-24-50-152)173-125(216)77(8)168-124(215)76(7)170-132(223)96(42-46-109(154)200)172-114(205)66-164-130(221)95(44-48-117(209)210)176-139(230)104-61-112(203)160-52-25-22-35-92(135(226)187-107(70-195)146(237)188-106(69-194)144(235)181-99(137(228)183-104)57-83-38-40-86(199)41-39-83)175-140(231)105(62-119(213)214)184-145(236)108(71-196)189-150(241)123(80(11)198)193-143(234)101(56-82-30-17-14-18-31-82)185-149(240)122(79(10)197)190-115(206)68-165-129(220)94(43-47-116(207)208)174-126(217)78(9)169-127(218)88(153)59-85-64-158-72-167-85/h13-20,28-33,38-41,63-64,72-80,88,90-108,120-123,162,194-199H,12,21-27,34-37,42-62,65-71,152-153H2,1-11H3,(H2,154,200)(H2,155,201)(H,158,167)(H,159,202)(H,160,203)(H,163,219)(H,164,221)(H,165,220)(H,166,222)(H,168,215)(H,169,218)(H,170,223)(H,171,204)(H,172,205)(H,173,216)(H,174,217)(H,175,231)(H,176,230)(H,177,224)(H,178,239)(H,179,229)(H,180,227)(H,181,235)(H,182,225)(H,183,228)(H,184,236)(H,185,240)(H,186,238)(H,187,226)(H,188,237)(H,189,241)(H,190,206)(H,191,232)(H,192,233)(H,193,234)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,156,157,161)/t75-,76-,77-,78-,79+,80+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-,122-,123-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 12n/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