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BDBM50183867 CHEMBL3823985

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](CC(C)C)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)NCC(C)C

InChI Key: InChIKey=KUKQFPKPEOJBFJ-QRBJTJCXSA-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 = 50183867   
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))		BDBM50183867
PNG
(CHEMBL3823985)
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](CC(C)C)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)NCC(C)C |r|
Show InChI InChI=1S/C176H271N43O52/c1-25-30-52-107(195-152(248)111(57-59-132(229)230)196-161(257)123(74-135(235)236)208-168(264)127(83-221)212-158(254)116(66-99-45-34-31-35-46-99)204-167(263)126(82-220)193-131(228)81-188-148(244)121(72-133(231)232)192-130(227)80-187-147(243)105(178)70-103-79-183-84-189-103)150(246)202-118(68-101-49-38-33-39-50-101)166(262)218-144(98(24)224)175(271)216-140(92(18)28-4)171(267)209-114(64-87(10)11)157(253)207-125(76-137(239)240)162(258)200-113(63-86(8)9)156(252)199-112(62-85(6)7)155(251)191-94(20)145(241)190-95(21)146(242)194-109(55-44-61-184-176(181)182)151(247)206-124(75-136(237)238)163(259)203-117(67-100-47-36-32-37-48-100)165(261)215-139(91(17)27-3)170(266)210-120(71-129(180)226)160(256)205-119(69-102-78-185-106-53-41-40-51-104(102)106)159(255)201-115(65-88(12)13)164(260)214-138(90(16)26-2)169(265)198-110(56-58-128(179)225)154(250)217-142(96(22)222)173(269)197-108(54-42-43-60-177)153(249)213-141(93(19)29-5)172(268)219-143(97(23)223)174(270)211-122(73-134(233)234)149(245)186-77-89(14)15/h31-41,45-51,53,78-79,84-98,105,107-127,138-144,185,220-224H,25-30,42-44,52,54-77,80-83,177-178H2,1-24H3,(H2,179,225)(H2,180,226)(H,183,189)(H,186,245)(H,187,243)(H,188,244)(H,190,241)(H,191,251)(H,192,227)(H,193,228)(H,194,242)(H,195,248)(H,196,257)(H,197,269)(H,198,265)(H,199,252)(H,200,258)(H,201,255)(H,202,246)(H,203,259)(H,204,263)(H,205,256)(H,206,247)(H,207,253)(H,208,264)(H,209,267)(H,210,266)(H,211,270)(H,212,254)(H,213,249)(H,214,260)(H,215,261)(H,216,271)(H,217,250)(H,218,262)(H,219,268)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,181,182,184)/t90-,91-,92-,93-,94-,95-,96+,97+,98+,105-,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,138-,139-,140-,141-,142-,143-,144-/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))		BDBM50183867
PNG
(CHEMBL3823985)
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](CC(C)C)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)NCC(C)C |r|
Show InChI InChI=1S/C176H271N43O52/c1-25-30-52-107(195-152(248)111(57-59-132(229)230)196-161(257)123(74-135(235)236)208-168(264)127(83-221)212-158(254)116(66-99-45-34-31-35-46-99)204-167(263)126(82-220)193-131(228)81-188-148(244)121(72-133(231)232)192-130(227)80-187-147(243)105(178)70-103-79-183-84-189-103)150(246)202-118(68-101-49-38-33-39-50-101)166(262)218-144(98(24)224)175(271)216-140(92(18)28-4)171(267)209-114(64-87(10)11)157(253)207-125(76-137(239)240)162(258)200-113(63-86(8)9)156(252)199-112(62-85(6)7)155(251)191-94(20)145(241)190-95(21)146(242)194-109(55-44-61-184-176(181)182)151(247)206-124(75-136(237)238)163(259)203-117(67-100-47-36-32-37-48-100)165(261)215-139(91(17)27-3)170(266)210-120(71-129(180)226)160(256)205-119(69-102-78-185-106-53-41-40-51-104(102)106)159(255)201-115(65-88(12)13)164(260)214-138(90(16)26-2)169(265)198-110(56-58-128(179)225)154(250)217-142(96(22)222)173(269)197-108(54-42-43-60-177)153(249)213-141(93(19)29-5)172(268)219-143(97(23)223)174(270)211-122(73-134(233)234)149(245)186-77-89(14)15/h31-41,45-51,53,78-79,84-98,105,107-127,138-144,185,220-224H,25-30,42-44,52,54-77,80-83,177-178H2,1-24H3,(H2,179,225)(H2,180,226)(H,183,189)(H,186,245)(H,187,243)(H,188,244)(H,190,241)(H,191,251)(H,192,227)(H,193,228)(H,194,242)(H,195,248)(H,196,257)(H,197,269)(H,198,265)(H,199,252)(H,200,258)(H,201,255)(H,202,246)(H,203,259)(H,204,263)(H,205,256)(H,206,247)(H,207,253)(H,208,264)(H,209,267)(H,210,266)(H,211,270)(H,212,254)(H,213,249)(H,214,260)(H,215,261)(H,216,271)(H,217,250)(H,218,262)(H,219,268)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,181,182,184)/t90-,91-,92-,93-,94-,95-,96+,97+,98+,105-,107?,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,127-,138-,139-,140-,141-,142-,143-,144-/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 0.0600n/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