BDBM50586564 CHEMBL5088512

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(O)=O)NC1=O)C(=O)N[C@H](C)C(N)=O

InChI Key InChIKey=VYPSNOYFTMRELT-RVQHOWKTSA-N

Data  1 Kd

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50586564   

TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586564(CHEMBL5088512)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(O)=O)NC1=O)C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C148H263N59O37/c1-9-80(6)114(139(244)206-107(77-208)138(243)202-102(55-59-112(216)217)134(239)203-103(72-78(2)3)135(240)197-87-35-18-16-14-12-10-11-13-15-17-34-86(117(222)183-81(7)115(154)220)186-122(227)94(43-29-67-177-144(163)164)195-131(236)99(52-56-108(152)211)199-121(226)90(38-21-24-62-151)189-133(238)101(54-58-111(214)215)201-128(233)97(46-32-70-180-147(169)170)198-136(241)106(75-113(218)219)205-129(87)234)207-137(242)104(73-79(4)5)204-130(235)98(47-33-71-181-148(171)172)194-125(230)93(42-28-66-176-143(161)162)191-124(229)92(41-27-65-175-142(159)160)192-126(231)95(44-30-68-178-145(165)166)196-132(237)100(53-57-109(153)212)200-127(232)96(45-31-69-179-146(167)168)193-123(228)91(40-26-64-174-141(157)158)190-120(225)89(37-20-23-61-150)188-119(224)88(36-19-22-60-149)187-118(223)85(39-25-63-173-140(155)156)185-110(213)76-182-116(221)105(184-82(8)209)74-83-48-50-84(210)51-49-83/h11,13,48-51,78-81,85-107,114,208,210H,9-10,12,14-47,52-77,149-151H2,1-8H3,(H2,152,211)(H2,153,212)(H2,154,220)(H,182,221)(H,183,222)(H,184,209)(H,185,213)(H,186,227)(H,187,223)(H,188,224)(H,189,238)(H,190,225)(H,191,229)(H,192,231)(H,193,228)(H,194,230)(H,195,236)(H,196,237)(H,197,240)(H,198,241)(H,199,226)(H,200,232)(H,201,233)(H,202,243)(H,203,239)(H,204,235)(H,205,234)(H,206,244)(H,207,242)(H,214,215)(H,216,217)(H,218,219)(H4,155,156,173)(H4,157,158,174)(H4,159,160,175)(H4,161,162,176)(H4,163,164,177)(H4,165,166,178)(H4,167,168,179)(H4,169,170,180)(H4,171,172,181)/b13-11+/t80-,81+,85-,86-,87+,88-,89-,90+,91-,92-,93-,94+,95-,96-,97+,98-,99+,100-,101+,102-,103-,104-,105-,106+,107-,114-/m0/s1
Affinity DataKd:  3.21E+3nMAssay Description:Binding affinity to Beclin 1 coiled coil domain (unknown origin) by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid