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BDBM50183658 CHEMBL3822459

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](Cc1ccccc1)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](Cc1ccccc1)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(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=GNJUUAMKNPMPSM-OMQTVSMYSA-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 = 50183658   
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))		BDBM50183658
PNG
(CHEMBL3822459)
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](Cc1ccccc1)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](Cc1ccccc1)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(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C175H260N42O53/c1-21-26-53-106(193-150(245)110(58-60-131(227)228)194-159(254)121(74-133(231)232)206-166(261)126(83-219)210-156(251)115(67-98-46-33-28-34-47-98)202-165(260)125(82-218)191-130(226)81-186-147(242)120(73-132(229)230)190-129(225)80-185-146(241)104(177)71-102-79-182-84-187-102)148(243)199-117(69-100-50-37-30-38-51-100)164(259)216-143(96(20)222)173(268)214-139(90(14)24-4)169(264)207-112(64-86(8)9)154(249)205-123(76-135(235)236)161(256)200-114(66-97-44-31-27-32-45-97)155(250)197-111(63-85(6)7)153(248)189-92(16)144(239)188-93(17)145(240)192-108(56-43-62-183-175(180)181)149(244)204-122(75-134(233)234)160(255)201-116(68-99-48-35-29-36-49-99)163(258)213-138(89(13)23-3)168(263)208-119(72-128(179)224)158(253)203-118(70-101-78-184-105-54-40-39-52-103(101)105)157(252)198-113(65-87(10)11)162(257)212-137(88(12)22-2)167(262)196-109(57-59-127(178)223)152(247)215-141(94(18)220)171(266)195-107(55-41-42-61-176)151(246)211-140(91(15)25-5)170(265)217-142(95(19)221)172(267)209-124(174(269)270)77-136(237)238/h27-40,44-52,54,78-79,84-96,104,106-126,137-143,184,218-222H,21-26,41-43,53,55-77,80-83,176-177H2,1-20H3,(H2,178,223)(H2,179,224)(H,182,187)(H,185,241)(H,186,242)(H,188,239)(H,189,248)(H,190,225)(H,191,226)(H,192,240)(H,193,245)(H,194,254)(H,195,266)(H,196,262)(H,197,250)(H,198,252)(H,199,243)(H,200,256)(H,201,255)(H,202,260)(H,203,253)(H,204,244)(H,205,249)(H,206,261)(H,207,264)(H,208,263)(H,209,267)(H,210,251)(H,211,246)(H,212,257)(H,213,258)(H,214,268)(H,215,247)(H,216,259)(H,217,265)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,269,270)(H4,180,181,183)/t88-,89-,90-,91-,92-,93-,94+,95+,96+,104-,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,121-,122-,123-,124-,125-,126-,137-,138-,139-,140-,141-,142-,143-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
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))		BDBM50183658
PNG
(CHEMBL3822459)
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](Cc1ccccc1)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](Cc1ccccc1)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(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C175H260N42O53/c1-21-26-53-106(193-150(245)110(58-60-131(227)228)194-159(254)121(74-133(231)232)206-166(261)126(83-219)210-156(251)115(67-98-46-33-28-34-47-98)202-165(260)125(82-218)191-130(226)81-186-147(242)120(73-132(229)230)190-129(225)80-185-146(241)104(177)71-102-79-182-84-187-102)148(243)199-117(69-100-50-37-30-38-51-100)164(259)216-143(96(20)222)173(268)214-139(90(14)24-4)169(264)207-112(64-86(8)9)154(249)205-123(76-135(235)236)161(256)200-114(66-97-44-31-27-32-45-97)155(250)197-111(63-85(6)7)153(248)189-92(16)144(239)188-93(17)145(240)192-108(56-43-62-183-175(180)181)149(244)204-122(75-134(233)234)160(255)201-116(68-99-48-35-29-36-49-99)163(258)213-138(89(13)23-3)168(263)208-119(72-128(179)224)158(253)203-118(70-101-78-184-105-54-40-39-52-103(101)105)157(252)198-113(65-87(10)11)162(257)212-137(88(12)22-2)167(262)196-109(57-59-127(178)223)152(247)215-141(94(18)220)171(266)195-107(55-41-42-61-176)151(246)211-140(91(15)25-5)170(265)217-142(95(19)221)172(267)209-124(174(269)270)77-136(237)238/h27-40,44-52,54,78-79,84-96,104,106-126,137-143,184,218-222H,21-26,41-43,53,55-77,80-83,176-177H2,1-20H3,(H2,178,223)(H2,179,224)(H,182,187)(H,185,241)(H,186,242)(H,188,239)(H,189,248)(H,190,225)(H,191,226)(H,192,240)(H,193,245)(H,194,254)(H,195,266)(H,196,262)(H,197,250)(H,198,252)(H,199,243)(H,200,256)(H,201,255)(H,202,260)(H,203,253)(H,204,244)(H,205,249)(H,206,261)(H,207,264)(H,208,263)(H,209,267)(H,210,251)(H,211,246)(H,212,257)(H,213,258)(H,214,268)(H,215,247)(H,216,259)(H,217,265)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,269,270)(H4,180,181,183)/t88-,89-,90-,91-,92-,93-,94+,95+,96+,104-,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,121-,122-,123-,124-,125-,126-,137-,138-,139-,140-,141-,142-,143-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 0.0600n/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