Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50275594'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50275594 (CHEMBL4130225) Show SMILES CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C213H337N55O64/c1-17-19-20-21-22-23-24-25-26-27-28-29-30-37-68-162(280)236-140(210(330)331)73-80-163(281)237-139(209(328)329)72-79-161(279)225-86-47-43-62-132(239-186(305)135(70-77-159(219)277)243-183(302)131(61-42-46-85-216)242-198(317)151(109-271)257-192(311)143(94-115(7)8)249-195(314)148(100-171(292)293)253-199(318)153(111-273)259-205(324)174(121(14)275)263-197(316)145(96-123-55-35-32-36-56-123)254-204(323)173(120(13)274)261-166(284)105-230-179(298)134(69-76-158(218)276)260-211(332)213(15,16)264-178(297)127(217)98-125-102-224-112-232-125)185(304)252-147(99-170(290)291)194(313)245-137(74-81-168(286)287)188(307)244-136(71-78-160(220)278)187(306)240-133(63-48-87-226-212(222)223)182(301)235-118(11)177(296)238-130(60-41-45-84-215)184(303)247-142(93-114(5)6)191(310)250-144(95-122-53-33-31-34-54-122)196(315)262-172(116(9)18-2)203(322)246-138(75-82-169(288)289)189(308)251-146(97-124-101-227-128-58-39-38-57-126(124)128)193(312)248-141(92-113(3)4)190(309)241-129(59-40-44-83-214)181(300)234-117(10)176(295)229-103-164(282)228-106-167(285)265-88-49-64-154(265)201(320)258-152(110-272)200(319)256-150(108-270)180(299)231-104-165(283)233-119(12)206(325)267-90-51-66-156(267)208(327)268-91-52-67-157(268)207(326)266-89-50-65-155(266)202(321)255-149(107-269)175(221)294/h31-36,38-39,53-58,101-102,112-121,127,129-157,172-174,227,269-275H,17-30,37,40-52,59-100,103-111,214-217H2,1-16H3,(H2,218,276)(H2,219,277)(H2,220,278)(H2,221,294)(H,224,232)(H,225,279)(H,228,282)(H,229,295)(H,230,298)(H,231,299)(H,233,283)(H,234,300)(H,235,301)(H,236,280)(H,237,281)(H,238,296)(H,239,305)(H,240,306)(H,241,309)(H,242,317)(H,243,302)(H,244,307)(H,245,313)(H,246,322)(H,247,303)(H,248,312)(H,249,314)(H,250,310)(H,251,308)(H,252,304)(H,253,318)(H,254,323)(H,255,321)(H,256,319)(H,257,311)(H,258,320)(H,259,324)(H,260,332)(H,261,284)(H,262,315)(H,263,316)(H,264,297)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,328,329)(H,330,331)(H4,222,223,226)/t116-,117-,118-,119-,120+,121+,127-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,172-,173-,174-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00220	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Agonist activity at human GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay				J Med Chem 61: 5580-5593 (2018) Article DOI: 10.1021/acs.jmedchem.8b00292 BindingDB Entry DOI: 10.7270/Q2NP26XR
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