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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50324717'   
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 1 receptor


(Homo sapiens (Human))
BDBM50324717
PNG
(CHEMBL1222091)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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(N)=O)NC(=O)[C@H](CO)N[C@@H](Cc1cnc[nH]1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)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)O)C(N)=O |r,wU:173.179,145.156,135.140,115.126,100.107,80.85,63.69,41.49,27.33,8.16,196.200,219.225,235.241,250.256,251.259,wD:164.173,156.160,187.193,141.144,190.196,127.134,109.113,88.98,72.77,52.60,36.37,19.24,4.4,2.2,205.209,227.233,243.249,244.252,177.180,(30.83,-4.4,;30.87,-2.85,;29.55,-2.06,;28.24,-2.86,;29.55,-.47,;28.24,.33,;26.94,-.47,;26.94,-2.06,;25.62,.33,;25.62,1.92,;26.94,2.72,;28.25,1.91,;29.55,2.71,;29.56,4.3,;28.25,5.09,;26.94,4.31,;24.32,-.46,;23,.33,;23,1.92,;21.7,-.46,;21.7,-2.05,;23,-2.84,;24.35,-2.11,;22.96,-4.39,;20.39,.34,;19.07,-.46,;19.07,-2.05,;17.76,.34,;17.76,1.93,;19.07,2.73,;19.07,4.32,;20.42,5.09,;20.42,6.63,;16.45,-.45,;15.14,.34,;15.14,1.93,;13.83,-.45,;13.83,-2.04,;12.54,.35,;11.21,-.44,;11.21,-2.04,;9.91,.35,;9.91,1.93,;11.21,2.75,;11.21,4.32,;12.54,5.11,;12.54,6.71,;11.22,7.5,;13.83,7.5,;8.59,-.44,;7.28,.35,;7.28,1.95,;5.97,-.43,;5.97,-2.03,;7.28,-2.83,;7.28,-4.42,;8.61,-5.19,;8.61,-6.73,;9.95,-7.5,;7.28,-7.5,;4.65,.36,;3.37,-.42,;3.37,-2.03,;2.04,.37,;2.04,1.95,;3.39,2.72,;3.39,4.27,;2.04,5.04,;4.71,5.04,;.75,-.42,;-.57,.37,;-.57,1.95,;-1.89,-.42,;-1.89,-2.02,;-.57,-2.81,;.73,-2.02,;-.57,-4.4,;-3.2,.37,;-4.5,-.41,;-4.5,-2.01,;-5.81,.37,;-5.81,1.96,;-4.5,2.76,;-4.5,4.35,;-3.18,1.96,;-7.11,-.41,;-8.43,.38,;-8.43,1.96,;-9.73,-.41,;-9.73,-2.01,;-8.43,-2.8,;-7.12,-2.01,;-5.81,-2.81,;-5.81,-4.4,;-4.49,-5.19,;-7.12,-5.19,;-8.43,-4.39,;-11.05,.38,;-12.37,-.4,;-12.37,-2,;-13.66,.38,;-13.66,1.97,;-12.37,2.77,;-12.37,4.36,;-11.06,5.16,;-11.06,6.75,;-14.98,-.4,;-16.28,.39,;-16.28,1.97,;-17.59,-.4,;-17.59,-2,;-16.28,-2.79,;-18.92,.39,;-20.21,-.39,;-20.21,-1.99,;-21.52,.39,;-21.52,1.98,;-20.21,2.78,;-18.91,1.98,;-17.59,2.78,;-17.59,4.37,;-16.27,5.17,;-18.91,5.17,;-20.22,4.37,;-22.83,-.39,;-24.14,.4,;-24.14,1.98,;-25.46,-.39,;-25.46,-1.98,;-24.14,-2.78,;-22.84,-1.98,;-24.14,-4.37,;-26.76,.4,;-28.08,-.39,;-28.08,-1.98,;-29.39,.4,;-29.39,1.99,;-28.08,2.79,;-30.68,-.38,;-32.01,.41,;-32.01,1.99,;-33.3,-.38,;-34.62,.41,;-35.93,-.38,;-35.93,-1.97,;-37.24,.41,;-37.24,2,;-35.93,2.8,;-34.63,1.99,;-33.3,2.8,;-33.31,4.38,;-34.62,5.19,;-35.92,4.39,;-38.55,-.37,;-39.85,.41,;-39.85,2,;-41.17,-.37,;-42.48,.42,;-43.79,-.37,;-43.79,-1.96,;-45.08,.42,;-46.41,-.36,;-47.72,.42,;-47.72,2.01,;-49.02,-.36,;-49.02,-1.95,;-47.72,-2.75,;-47.72,-4.35,;-49.02,-5.14,;-46.42,-5.14,;-50.33,.42,;-51.64,-.36,;-51.64,-1.95,;-52.97,.43,;-52.97,2.02,;-51.63,2.82,;-54.27,-.36,;-55.6,.42,;-55.6,1.94,;-56.92,2.7,;-58.17,1.84,;-59.4,2.76,;-58.91,4.22,;-57.36,4.19,;-56.94,-.35,;-58.26,.42,;-56.94,-1.89,;-41.17,-1.96,;-42.48,-2.77,;-39.85,-2.76,;-33.3,-1.97,;-34.62,-2.78,;-32.01,-2.77,;30.87,.32,;30.87,1.91,;32.17,-.47,;33.48,.32,;33.48,1.91,;34.82,2.68,;34.82,4.22,;33.48,4.99,;36.15,4.99,;34.79,-.47,;34.79,-2.07,;36.1,.32,;37.41,-.48,;37.41,-2.07,;38.72,-2.86,;40.09,-2.22,;41.12,-3.4,;40.35,-4.79,;40.81,-6.29,;39.8,-7.47,;38.32,-7.13,;37.85,-5.62,;38.87,-4.45,;38.72,.32,;38.72,1.9,;40.03,-.48,;41.33,.31,;41.33,1.9,;42.65,2.7,;42.65,4.29,;43.96,1.9,;42.65,-.48,;42.65,-2.08,;43.96,.31,;45.27,-.49,;45.27,-2.08,;46.57,-2.87,;46.57,-4.46,;47.88,-5.26,;46.57,.31,;46.57,1.89,;47.89,-.49,;49.19,.3,;49.19,1.89,;50.51,2.69,;51.82,1.89,;50.51,4.28,;50.51,-.49,;50.51,-2.09,;51.81,.3,;53.12,-.5,;53.12,-2.09,;51.81,-2.88,;54.44,-2.88,;54.44,.3,;54.44,1.88,;55.75,-.5,;56.96,.2,;56.96,1.61,;55.75,2.32,;58.18,2.32,;58.18,-.5,;59.4,.2,;58.18,-1.91,)|
Show InChI InChI=1S/C161H240N44O51S/c1-13-79(6)126(155(251)187-100(47-50-119(165)216)139(235)193-109(64-89-70-175-94-33-21-20-32-93(89)94)145(241)189-103(58-77(2)3)141(237)186-102(52-57-257-12)140(236)194-110(66-120(166)217)151(247)205-130(84(11)212)158(254)203-127(81(8)209)131(167)227)202-149(245)107(60-85-28-16-14-17-29-85)192-147(243)112(68-124(223)224)195-136(232)95(34-22-24-53-162)180-132(228)80(7)178-134(230)97(36-26-55-173-160(168)169)181-135(231)98(37-27-56-174-161(170)171)182-138(234)101(48-51-122(219)220)185-146(242)111(67-123(221)222)196-142(238)104(59-78(4)5)188-143(239)105(62-87-38-42-91(213)43-39-87)190-137(233)96(35-23-25-54-163)183-153(249)116(74-207)199-144(240)106(63-88-40-44-92(214)45-41-88)191-148(244)113(69-125(225)226)197-154(250)117(75-208)200-157(253)129(83(10)211)204-150(246)108(61-86-30-18-15-19-31-86)198-156(252)128(82(9)210)201-121(218)72-176-133(229)99(46-49-118(164)215)184-152(248)115(73-206)179-114(159(255)256)65-90-71-172-76-177-90/h14-21,28-33,38-45,70-71,76-84,95-117,126-130,175,179,206-214H,13,22-27,34-37,46-69,72-75,162-163H2,1-12H3,(H2,164,215)(H2,165,216)(H2,166,217)(H2,167,227)(H,172,177)(H,176,229)(H,178,230)(H,180,228)(H,181,231)(H,182,234)(H,183,249)(H,184,248)(H,185,242)(H,186,237)(H,187,251)(H,188,239)(H,189,241)(H,190,233)(H,191,244)(H,192,243)(H,193,235)(H,194,236)(H,195,232)(H,196,238)(H,197,250)(H,198,252)(H,199,240)(H,200,253)(H,201,218)(H,202,245)(H,203,254)(H,204,246)(H,205,247)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,255,256)(H4,168,169,173)(H4,170,171,174)/t79-,80-,81+,82+,83+,84+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128-,129-,130-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Indiana University

Curated by ChEMBL


Assay Description
Agonist activity at GLP1R expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay


Nat Chem Biol 5: 749-57 (2009)


Article DOI: 10.1038/nchembio.209
BindingDB Entry DOI: 10.7270/Q2WW7JNF
More data for this
Ligand-Target Pair