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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 2 receptor' and Ligand = 'BDBM50183752'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glucagon-like peptide 2 receptor


(Homo sapiens (Human))		BDBM50183752
PNG
(CHEMBL3823893)
Show SMILES CCCCC(NC(=O)C(CCC(O)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(N)Cc1cnc[nH]1)C(=O)NC(Cc1cccc(Cl)c1)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(C)CC)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(N)=O
Show InChI InChI=1S/C179H262ClN43O52/c1-21-26-50-110(199-155(252)114(57-59-135(233)234)200-164(261)126(76-138(239)240)213-171(268)130(84-225)216-161(258)119(67-98-41-29-27-30-42-98)209-170(267)129(83-224)197-134(232)82-192-152(249)125(75-137(237)238)196-133(231)81-191-151(248)108(182)72-106-80-188-85-193-106)153(250)206-122(69-100-45-39-48-105(180)66-100)169(266)222-147(97(20)228)178(275)220-143(91(14)24-4)174(271)214-117(63-87(8)9)159(256)212-128(78-140(243)244)166(263)208-121(70-101-54-55-102-46-33-34-47-103(102)65-101)160(257)204-116(62-86(6)7)158(255)195-93(16)149(246)194-94(17)150(247)198-112(53-40-61-189-179(186)187)154(251)211-127(77-139(241)242)165(262)207-120(68-99-43-31-28-32-44-99)168(265)219-142(90(13)23-3)173(270)215-124(73-132(184)230)163(260)210-123(71-104-79-190-109-51-36-35-49-107(104)109)162(259)205-118(64-88(10)11)167(264)218-141(89(12)22-2)172(269)202-113(56-58-131(183)229)157(254)221-145(95(18)226)176(273)201-111(52-37-38-60-181)156(253)217-144(92(15)25-5)175(272)223-146(96(19)227)177(274)203-115(148(185)245)74-136(235)236/h27-36,39,41-49,51,54-55,65-66,79-80,85-97,108,110-130,141-147,190,224-228H,21-26,37-38,40,50,52-53,56-64,67-78,81-84,181-182H2,1-20H3,(H2,183,229)(H2,184,230)(H2,185,245)(H,188,193)(H,191,248)(H,192,249)(H,194,246)(H,195,255)(H,196,231)(H,197,232)(H,198,247)(H,199,252)(H,200,261)(H,201,273)(H,202,269)(H,203,274)(H,204,257)(H,205,259)(H,206,250)(H,207,262)(H,208,263)(H,209,267)(H,210,260)(H,211,251)(H,212,256)(H,213,268)(H,214,271)(H,215,270)(H,216,258)(H,217,253)(H,218,264)(H,219,265)(H,220,275)(H,221,254)(H,222,266)(H,223,272)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H4,186,187,189)/t89-,90-,91-,92-,93-,94-,95+,96+,97+,108-,110?,111-,112-,113-,114-,115-,116-,117-,118-,119?,120-,121?,122+,123-,124-,125-,126-,127-,128-,129-,130-,141-,142-,143-,144-,145-,146-,147-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.510n/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