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BDBM50184062 CHEMBL3823217

SMILES: CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=DMRADHQGBFFENY-KBVYGPIDNA-N

Data: 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 2 hits for monomerid = 50184062   
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))
BDBM50184062
PNG
(CHEMBL3823217)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C151H232N42O48/c1-18-22-39-88(173-130(221)91(44-46-113(204)205)174-138(229)102(60-115(208)209)185-145(236)106(68-195)188-134(225)95(52-80-34-25-23-26-35-80)179-144(235)105(67-194)170-112(203)66-165-127(218)101(59-114(206)207)169-111(202)65-164-126(217)85(153)55-83-64-161-69-166-83)128(219)181-100(58-110(157)201)143(234)193-122(79(17)197)150(241)191-120(75(13)21-4)148(239)186-93(50-71(7)8)133(224)184-104(62-117(212)213)140(231)182-98(56-108(155)199)136(227)176-92(49-70(5)6)132(223)168-76(14)124(215)167-77(15)125(216)172-89(42-33-48-162-151(159)160)129(220)183-103(61-116(210)211)139(230)178-96(53-81-36-27-24-28-37-81)142(233)190-119(74(12)20-3)147(238)187-99(57-109(156)200)137(228)180-97(54-82-63-163-86-40-30-29-38-84(82)86)135(226)177-94(51-72(9)10)141(232)189-118(73(11)19-2)146(237)175-90(43-45-107(154)198)131(222)192-121(78(16)196)149(240)171-87(123(158)214)41-31-32-47-152/h23-30,34-38,40,63-64,69-79,85,87-106,118-122,163,194-197H,18-22,31-33,39,41-62,65-68,152-153H2,1-17H3,(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,214)(H,161,166)(H,164,217)(H,165,218)(H,167,215)(H,168,223)(H,169,202)(H,170,203)(H,171,240)(H,172,216)(H,173,221)(H,174,229)(H,175,237)(H,176,227)(H,177,226)(H,178,230)(H,179,235)(H,180,228)(H,181,219)(H,182,231)(H,183,220)(H,184,224)(H,185,236)(H,186,239)(H,187,238)(H,188,225)(H,189,232)(H,190,233)(H,191,241)(H,192,222)(H,193,234)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,159,160,162)/t73-,74-,75-,76-,77-,78+,79+,85-,87-,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,118-,119-,120-,121-,122-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay


J Med Chem 59: 3129-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01909
BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))
BDBM50184062
PNG
(CHEMBL3823217)
Show SMILES CCCCC(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C151H232N42O48/c1-18-22-39-88(173-130(221)91(44-46-113(204)205)174-138(229)102(60-115(208)209)185-145(236)106(68-195)188-134(225)95(52-80-34-25-23-26-35-80)179-144(235)105(67-194)170-112(203)66-165-127(218)101(59-114(206)207)169-111(202)65-164-126(217)85(153)55-83-64-161-69-166-83)128(219)181-100(58-110(157)201)143(234)193-122(79(17)197)150(241)191-120(75(13)21-4)148(239)186-93(50-71(7)8)133(224)184-104(62-117(212)213)140(231)182-98(56-108(155)199)136(227)176-92(49-70(5)6)132(223)168-76(14)124(215)167-77(15)125(216)172-89(42-33-48-162-151(159)160)129(220)183-103(61-116(210)211)139(230)178-96(53-81-36-27-24-28-37-81)142(233)190-119(74(12)20-3)147(238)187-99(57-109(156)200)137(228)180-97(54-82-63-163-86-40-30-29-38-84(82)86)135(226)177-94(51-72(9)10)141(232)189-118(73(11)19-2)146(237)175-90(43-45-107(154)198)131(222)192-121(78(16)196)149(240)171-87(123(158)214)41-31-32-47-152/h23-30,34-38,40,63-64,69-79,85,87-106,118-122,163,194-197H,18-22,31-33,39,41-62,65-68,152-153H2,1-17H3,(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,214)(H,161,166)(H,164,217)(H,165,218)(H,167,215)(H,168,223)(H,169,202)(H,170,203)(H,171,240)(H,172,216)(H,173,221)(H,174,229)(H,175,237)(H,176,227)(H,177,226)(H,178,230)(H,179,235)(H,180,228)(H,181,219)(H,182,231)(H,183,220)(H,184,224)(H,185,236)(H,186,239)(H,187,238)(H,188,225)(H,189,232)(H,190,233)(H,191,241)(H,192,222)(H,193,234)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,159,160,162)/t73-,74-,75-,76-,77-,78+,79+,85-,87-,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,118-,119-,120-,121-,122-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.470n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay


J Med Chem 59: 3129-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01909
BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair