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BDBM50240820 CHEMBL4073765

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O

InChI Key: InChIKey=XDGLTKCZVMIDJQ-GVLFOTCRSA-N

Data: 1 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 1 hit for monomerid = 50240820   
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))
BDBM50240820
PNG
(CHEMBL4073765)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C175H249ClN44O53/c1-19-88(10)142(169(267)196-92(14)148(246)205-123(69-100-74-187-109-37-27-26-36-105(100)109)159(257)207-119(65-85(4)5)160(258)216-140(86(6)7)167(265)204-111(40-31-63-186-175(181)182)151(249)188-76-132(230)197-110(39-30-62-185-174(179)180)150(248)191-79-139(241)242)218-161(259)121(66-96-32-22-20-23-33-96)208-156(254)116(54-60-137(237)238)203-155(253)112(38-28-29-61-184-130(228)57-51-117(173(271)272)199-131(229)72-106-93(15)220(128-55-49-104(273-18)71-107(106)128)172(270)99-43-45-101(176)46-44-99)200-146(244)90(12)193-145(243)89(11)195-154(252)115(50-56-129(178)227)198-133(231)77-189-153(251)114(53-59-136(235)236)202-157(255)118(64-84(2)3)206-158(256)120(68-98-41-47-103(226)48-42-98)209-164(262)125(80-221)212-166(264)127(82-223)213-168(266)141(87(8)9)217-163(261)124(73-138(239)240)210-165(263)126(81-222)214-171(269)144(95(17)225)219-162(260)122(67-97-34-24-21-25-35-97)211-170(268)143(94(16)224)215-134(232)78-190-152(250)113(52-58-135(233)234)201-147(245)91(13)194-149(247)108(177)70-102-75-183-83-192-102/h20-27,32-37,41-49,55,71,74-75,83-92,94-95,108,110-127,140-144,187,221-226H,19,28-31,38-40,50-54,56-70,72-73,76-82,177H2,1-18H3,(H2,178,227)(H,183,192)(H,184,228)(H,188,249)(H,189,251)(H,190,250)(H,191,248)(H,193,243)(H,194,247)(H,195,252)(H,196,267)(H,197,230)(H,198,231)(H,199,229)(H,200,244)(H,201,245)(H,202,255)(H,203,253)(H,204,265)(H,205,246)(H,206,256)(H,207,257)(H,208,254)(H,209,262)(H,210,263)(H,211,268)(H,212,264)(H,213,266)(H,214,269)(H,215,232)(H,216,258)(H,217,261)(H,218,259)(H,219,260)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,271,272)(H4,179,180,185)(H4,181,182,186)/t88-,89-,90-,91-,92-,94+,95+,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,140-,141-,142-,143-,144-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0680n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...


J Med Chem 60: 7434-7446 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00787
BindingDB Entry DOI: 10.7270/Q29S1T5W
More data for this
Ligand-Target Pair