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BDBM50183646 CHEMBL3823994

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](Cc1c[nH]c2ccccc12)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=ULEKKHMGJXHNOB-WUWMMSSFSA-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 = 50183646   
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))		BDBM50183646
PNG
(CHEMBL3823994)
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](Cc1c[nH]c2ccccc12)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 |r|
Show InChI InChI=1S/C158H236N42O47/c1-18-22-42-96(180-137(227)99(48-50-120(210)211)181-145(235)110(64-122(214)215)192-152(242)114(73-202)195-141(231)103(56-85-36-25-23-26-37-85)186-151(241)113(72-201)177-119(209)71-172-134(224)109(63-121(212)213)176-118(208)70-171-133(223)92(160)60-89-69-167-74-173-89)135(225)189-108(62-117(163)207)150(240)200-129(84(17)204)157(247)198-127(80(13)21-4)155(245)193-101(54-76(7)8)140(230)191-112(66-124(218)219)147(237)188-106(59-88-68-170-94-44-32-30-41-91(88)94)142(232)183-100(53-75(5)6)139(229)175-81(14)131(221)174-82(15)132(222)179-97(46-35-52-168-158(165)166)136(226)190-111(65-123(216)217)146(236)185-104(57-86-38-27-24-28-39-86)149(239)197-126(79(12)20-3)154(244)194-107(61-116(162)206)144(234)187-105(58-87-67-169-93-43-31-29-40-90(87)93)143(233)184-102(55-77(9)10)148(238)196-125(78(11)19-2)153(243)182-98(47-49-115(161)205)138(228)199-128(83(16)203)156(246)178-95(130(164)220)45-33-34-51-159/h23-32,36-41,43-44,67-69,74-84,92,95-114,125-129,169-170,201-204H,18-22,33-35,42,45-66,70-73,159-160H2,1-17H3,(H2,161,205)(H2,162,206)(H2,163,207)(H2,164,220)(H,167,173)(H,171,223)(H,172,224)(H,174,221)(H,175,229)(H,176,208)(H,177,209)(H,178,246)(H,179,222)(H,180,227)(H,181,235)(H,182,243)(H,183,232)(H,184,233)(H,185,236)(H,186,241)(H,187,234)(H,188,237)(H,189,225)(H,190,226)(H,191,230)(H,192,242)(H,193,245)(H,194,244)(H,195,231)(H,196,238)(H,197,239)(H,198,247)(H,199,228)(H,200,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,168)/t78-,79-,80-,81-,82-,83+,84+,92-,95-,96?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
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)


BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))		BDBM50183646
PNG
(CHEMBL3823994)
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](Cc1c[nH]c2ccccc12)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 |r|
Show InChI InChI=1S/C158H236N42O47/c1-18-22-42-96(180-137(227)99(48-50-120(210)211)181-145(235)110(64-122(214)215)192-152(242)114(73-202)195-141(231)103(56-85-36-25-23-26-37-85)186-151(241)113(72-201)177-119(209)71-172-134(224)109(63-121(212)213)176-118(208)70-171-133(223)92(160)60-89-69-167-74-173-89)135(225)189-108(62-117(163)207)150(240)200-129(84(17)204)157(247)198-127(80(13)21-4)155(245)193-101(54-76(7)8)140(230)191-112(66-124(218)219)147(237)188-106(59-88-68-170-94-44-32-30-41-91(88)94)142(232)183-100(53-75(5)6)139(229)175-81(14)131(221)174-82(15)132(222)179-97(46-35-52-168-158(165)166)136(226)190-111(65-123(216)217)146(236)185-104(57-86-38-27-24-28-39-86)149(239)197-126(79(12)20-3)154(244)194-107(61-116(162)206)144(234)187-105(58-87-67-169-93-43-31-29-40-90(87)93)143(233)184-102(55-77(9)10)148(238)196-125(78(11)19-2)153(243)182-98(47-49-115(161)205)138(228)199-128(83(16)203)156(246)178-95(130(164)220)45-33-34-51-159/h23-32,36-41,43-44,67-69,74-84,92,95-114,125-129,169-170,201-204H,18-22,33-35,42,45-66,70-73,159-160H2,1-17H3,(H2,161,205)(H2,162,206)(H2,163,207)(H2,164,220)(H,167,173)(H,171,223)(H,172,224)(H,174,221)(H,175,229)(H,176,208)(H,177,209)(H,178,246)(H,179,222)(H,180,227)(H,181,235)(H,182,243)(H,183,232)(H,184,233)(H,185,236)(H,186,241)(H,187,234)(H,188,237)(H,189,225)(H,190,226)(H,191,230)(H,192,242)(H,193,245)(H,194,244)(H,195,231)(H,196,238)(H,197,239)(H,198,247)(H,199,228)(H,200,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,168)/t78-,79-,80-,81-,82-,83+,84+,92-,95-,96?,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 0.150n/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)


BindingDB Entry DOI: 10.7270/Q23R0VT7
More data for this
Ligand-Target Pair