Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Glucagon-like peptide 1 receptor' and Ligand = 'BDBM50314040'
TargetGlucagon-like peptide 1 receptor(Rattus norvegicus)
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50314040((4S,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)OC(=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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)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](CCCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)N[C@@H](CC(N)=O)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
Show InChI InChI=1S/C232H357N49O67S/c1-22-120(10)191(221(341)261-154(68-76-188(310)311)207(327)265-160(95-129-103-243-145-45-30-29-44-135(129)145)211(331)263-156(90-116(2)3)209(329)253-147(47-32-34-83-241-178(296)71-54-122(12)139-60-62-141-137-58-56-131-97-134(290)78-81-230(131,18)143(137)100-174(292)232(139,141)20)202(322)266-161(101-176(235)294)198(318)246-105-179(297)244-109-183(301)278-85-36-49-168(278)217(337)271-165(112-284)216(336)270-164(111-283)199(319)248-106-180(298)250-124(14)224(344)280-87-38-51-170(280)226(346)281-88-39-52-171(281)225(345)279-86-37-50-169(279)218(338)269-163(110-282)194(236)314)276-212(332)158(93-127-40-25-23-26-41-127)264-210(330)157(91-117(4)5)262-203(323)148(48-35-84-242-228(237)238)260-220(340)190(119(8)9)275-195(315)123(13)251-200(320)151(65-73-185(304)305)256-205(325)152(66-74-186(306)307)257-206(326)153(67-75-187(308)309)258-208(328)155(79-89-349-21)259-204(324)150(63-69-175(234)293)255-201(321)146(46-31-33-82-240-177(295)70-53-121(11)138-59-61-140-136-57-55-130-96-133(289)77-80-229(130,17)142(136)99-173(291)231(138,140)19)254-214(334)166(113-285)272-219(339)172(92-118(6)7)348-227(347)162(102-189(312)313)268-215(335)167(114-286)273-223(343)193(126(16)288)277-213(333)159(94-128-42-27-24-28-43-128)267-222(342)192(125(15)287)274-182(300)108-247-197(317)149(64-72-184(302)303)252-181(299)107-245-196(316)144(233)98-132-104-239-115-249-132/h23-30,40-45,103-104,115-126,130-131,133-134,136-144,146-174,190-193,243,282-292H,22,31-39,46-102,105-114,233H2,1-21H3,(H2,234,293)(H2,235,294)(H2,236,314)(H,239,249)(H,240,295)(H,241,296)(H,244,297)(H,245,316)(H,246,318)(H,247,317)(H,248,319)(H,250,298)(H,251,320)(H,252,299)(H,253,329)(H,254,334)(H,255,321)(H,256,325)(H,257,326)(H,258,328)(H,259,324)(H,260,340)(H,261,341)(H,262,323)(H,263,331)(H,264,330)(H,265,327)(H,266,322)(H,267,342)(H,268,335)(H,269,338)(H,270,336)(H,271,337)(H,272,339)(H,273,343)(H,274,300)(H,275,315)(H,276,332)(H,277,333)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H4,237,238,242)/t120-,121+,122+,123-,124-,125+,126+,130+,131+,133+,134+,136-,137-,138+,139+,140-,141-,142-,143-,144-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,190-,191-,192-,193-,229-,230-,231+,232+/m0/s1
Affinity DataIC50: 10.1nMAssay Description:Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair