Compile Data Set for Download or QSAR
Found 15 of affinity data for UniProtKB/TrEMBL: Q14457
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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586578(CHEMBL5083800)
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](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C156H273N59O36S/c1-9-87(6)122(147(251)213-114(82-90-53-57-92(218)58-54-90)143(247)206-96-37-18-16-14-12-10-11-13-15-17-36-95(127(231)199-101(44-29-72-183-150(167)168)132(236)196-97(38-19-23-66-157)126(230)193-93(123(162)227)42-27-70-181-148(163)164)195-129(233)100(41-22-26-69-160)198-140(244)110(61-64-119(223)224)210-146(250)121(86(4)5)214-145(249)115(83-120(225)226)212-141(245)109(60-63-118(221)222)208-142(246)111(65-79-252-8)209-131(96)235)215-144(248)112(80-85(2)3)211-138(242)107(50-35-78-189-156(179)180)204-135(239)104(47-32-75-186-153(173)174)201-134(238)103(46-31-74-185-152(171)172)202-136(240)105(48-33-76-187-154(175)176)205-139(243)108(59-62-116(161)219)207-137(241)106(49-34-77-188-155(177)178)203-133(237)102(45-30-73-184-151(169)170)200-130(234)99(40-21-25-68-159)197-128(232)98(39-20-24-67-158)194-125(229)94(43-28-71-182-149(165)166)192-117(220)84-190-124(228)113(191-88(7)216)81-89-51-55-91(217)56-52-89/h11,13,51-58,85-87,93-115,121-122,217-218H,9-10,12,14-50,59-84,157-160H2,1-8H3,(H2,161,219)(H2,162,227)(H,190,228)(H,191,216)(H,192,220)(H,193,230)(H,194,229)(H,195,233)(H,196,236)(H,197,232)(H,198,244)(H,199,231)(H,200,234)(H,201,238)(H,202,240)(H,203,237)(H,204,239)(H,205,243)(H,206,247)(H,207,241)(H,208,246)(H,209,235)(H,210,250)(H,211,242)(H,212,245)(H,213,251)(H,214,249)(H,215,248)(H,221,222)(H,223,224)(H,225,226)(H4,163,164,181)(H4,165,166,182)(H4,167,168,183)(H4,169,170,184)(H4,171,172,185)(H4,173,174,186)(H4,175,176,187)(H4,177,178,188)(H4,179,180,189)/b13-11+/t87-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,121-,122-/m0/s1
Affinity DataKd:  1.29E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586566(CHEMBL5069538)
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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](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)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C151H271N65O36/c1-7-81(4)115(140(252)213-103(55-59-110(156)220)135(247)199-89-35-16-14-12-10-8-9-11-13-15-34-88(121(233)201-93(41-25-67-182-143(162)163)119(231)192-82(5)117(229)195-86(116(157)228)39-23-65-180-141(158)159)197-124(236)92(38-19-22-64-154)200-136(248)104(56-60-112(222)223)211-132(244)100(48-32-74-189-150(176)177)209-138(250)108(78-114(226)227)215-137(249)105(57-61-113(224)225)212-131(243)99(203-122(89)234)47-31-73-188-149(174)175)216-139(251)106(76-80(2)3)214-133(245)101(49-33-75-190-151(178)179)207-128(240)96(44-28-70-185-146(168)169)204-127(239)95(43-27-69-184-145(166)167)205-129(241)97(45-29-71-186-147(170)171)208-134(246)102(54-58-109(155)219)210-130(242)98(46-30-72-187-148(172)173)206-126(238)94(42-26-68-183-144(164)165)202-125(237)91(37-18-21-63-153)198-123(235)90(36-17-20-62-152)196-120(232)87(40-24-66-181-142(160)161)194-111(221)79-191-118(230)107(193-83(6)217)77-84-50-52-85(218)53-51-84/h9,11,50-53,80-82,86-108,115,218H,7-8,10,12-49,54-79,152-154H2,1-6H3,(H2,155,219)(H2,156,220)(H2,157,228)(H,191,230)(H,192,231)(H,193,217)(H,194,221)(H,195,229)(H,196,232)(H,197,236)(H,198,235)(H,199,247)(H,200,248)(H,201,233)(H,202,237)(H,203,234)(H,204,239)(H,205,241)(H,206,238)(H,207,240)(H,208,246)(H,209,250)(H,210,242)(H,211,244)(H,212,243)(H,213,252)(H,214,245)(H,215,249)(H,216,251)(H,222,223)(H,224,225)(H,226,227)(H4,158,159,180)(H4,160,161,181)(H4,162,163,182)(H4,164,165,183)(H4,166,167,184)(H4,168,169,185)(H4,170,171,186)(H4,172,173,187)(H4,174,175,188)(H4,176,177,189)(H4,178,179,190)/b11-9+/t81-,82-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-/m0/s1
Affinity DataKd:  2.03E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586567(CHEMBL5089306)
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]1CCCCCC\C=C\CCC[C@H](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)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C148H263N61O38/c1-7-79(4)113(138(247)208-106(77-210)137(246)202-87-34-16-14-12-10-8-9-11-13-15-33-86(119(228)193-91(39-24-64-175-140(156)157)117(226)185-80(5)115(224)188-84(114(153)223)53-57-109(215)216)190-122(231)90(37-19-22-62-151)192-133(242)101(54-58-110(217)218)204-130(239)98(46-31-71-182-147(170)171)201-135(244)105(75-112(221)222)207-134(243)102(55-59-111(219)220)205-129(238)97(195-120(87)229)45-30-70-181-146(168)169)209-136(245)103(73-78(2)3)206-131(240)99(47-32-72-183-148(172)173)199-126(235)94(42-27-67-178-143(162)163)196-125(234)93(41-26-66-177-142(160)161)197-127(236)95(43-28-68-179-144(164)165)200-132(241)100(52-56-107(152)213)203-128(237)96(44-29-69-180-145(166)167)198-124(233)92(40-25-65-176-141(158)159)194-123(232)89(36-18-21-61-150)191-121(230)88(35-17-20-60-149)189-118(227)85(38-23-63-174-139(154)155)187-108(214)76-184-116(225)104(186-81(6)211)74-82-48-50-83(212)51-49-82/h9,11,48-51,78-80,84-106,113,210,212H,7-8,10,12-47,52-77,149-151H2,1-6H3,(H2,152,213)(H2,153,223)(H,184,225)(H,185,226)(H,186,211)(H,187,214)(H,188,224)(H,189,227)(H,190,231)(H,191,230)(H,192,242)(H,193,228)(H,194,232)(H,195,229)(H,196,234)(H,197,236)(H,198,233)(H,199,235)(H,200,241)(H,201,244)(H,202,246)(H,203,237)(H,204,239)(H,205,238)(H,206,240)(H,207,243)(H,208,247)(H,209,245)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,154,155,174)(H4,156,157,175)(H4,158,159,176)(H4,160,161,177)(H4,162,163,178)(H4,164,165,179)(H4,166,167,180)(H4,168,169,181)(H4,170,171,182)(H4,172,173,183)/b11-9+/t79-,80-,84-,85-,86-,87+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-/m0/s1
Affinity DataKd:  2.84E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586568(CHEMBL5091207)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](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(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C152H272N56O34/c1-16-84(12)117(142(240)199-104(60-63-110(157)212)135(233)189-92-43-27-25-23-21-19-20-22-24-26-42-91(123(221)195-101(53-40-74-181-151(171)172)133(231)202-108(78-113(216)217)139(237)203-114(81(6)7)120(158)218)187-125(223)95(46-30-33-67-155)190-136(234)105(61-64-112(214)215)200-143(241)118(85(13)17-2)208-144(242)119(86(14)18-3)207-141(239)116(83(10)11)205-138(236)106(76-80(4)5)201-132(92)230)206-140(238)115(82(8)9)204-137(235)102(54-41-75-182-152(173)174)197-130(228)98(50-37-71-178-148(165)166)193-128(226)97(49-36-70-177-147(163)164)192-129(227)99(51-38-72-179-149(167)168)196-134(232)103(59-62-109(156)211)198-131(229)100(52-39-73-180-150(169)170)194-127(225)96(48-35-69-176-146(161)162)191-126(224)94(45-29-32-66-154)188-124(222)93(44-28-31-65-153)186-122(220)90(47-34-68-175-145(159)160)185-111(213)79-183-121(219)107(184-87(15)209)77-88-55-57-89(210)58-56-88/h20,22,55-58,80-86,90-108,114-119,210H,16-19,21,23-54,59-79,153-155H2,1-15H3,(H2,156,211)(H2,157,212)(H2,158,218)(H,183,219)(H,184,209)(H,185,213)(H,186,220)(H,187,223)(H,188,222)(H,189,233)(H,190,234)(H,191,224)(H,192,227)(H,193,226)(H,194,225)(H,195,221)(H,196,232)(H,197,228)(H,198,229)(H,199,240)(H,200,241)(H,201,230)(H,202,231)(H,203,237)(H,204,235)(H,205,236)(H,206,238)(H,207,239)(H,208,242)(H,214,215)(H,216,217)(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)(H4,173,174,182)/b22-20+/t84-,85-,86-,90-,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,114-,115-,116-,117-,118-,119-/m0/s1
Affinity DataKd:  100nMAssay 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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586569(CHEMBL5083528)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](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(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C154H270N54O32/c1-16-89(14)122-147(240)198-99(50-31-35-67-157)129(222)187-95(126(219)190-101(53-38-70-177-149(164)165)130(223)189-100(51-32-36-68-158)137(230)204-118(85(6)7)123(161)216)46-27-22-20-18-17-19-21-23-28-47-96(135(228)199-109(77-84(4)5)142(235)206-120(87(10)11)145(238)203-113(81-117(214)215)143(236)207-121(88(12)13)146(239)208-122)196-141(234)112(80-115(160)212)201-140(233)111(78-91-44-25-24-26-45-91)200-139(232)108(76-83(2)3)202-144(237)119(86(8)9)205-138(231)106(58-43-75-182-154(174)175)195-133(226)103(55-40-72-179-151(168)169)192-132(225)104(56-41-73-180-152(170)171)194-136(229)107(63-64-114(159)211)197-134(227)105(57-42-74-181-153(172)173)193-131(224)102(54-39-71-178-150(166)167)191-128(221)98(49-30-34-66-156)188-127(220)97(48-29-33-65-155)186-125(218)94(52-37-69-176-148(162)163)185-116(213)82-183-124(217)110(184-90(15)209)79-92-59-61-93(210)62-60-92/h18,20,24-26,44-45,59-62,83-89,94-113,118-122,210H,16-17,19,21-23,27-43,46-58,63-82,155-158H2,1-15H3,(H2,159,211)(H2,160,212)(H2,161,216)(H,183,217)(H,184,209)(H,185,213)(H,186,218)(H,187,222)(H,188,220)(H,189,223)(H,190,219)(H,191,221)(H,192,225)(H,193,224)(H,194,229)(H,195,226)(H,196,234)(H,197,227)(H,198,240)(H,199,228)(H,200,232)(H,201,233)(H,202,237)(H,203,238)(H,204,230)(H,205,231)(H,206,235)(H,207,236)(H,208,239)(H,214,215)(H4,162,163,176)(H4,164,165,177)(H4,166,167,178)(H4,168,169,179)(H4,170,171,180)(H4,172,173,181)(H4,174,175,182)/b20-18+/t89-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,118-,119-,120-,121-,122-/m0/s1
Affinity DataKd:  330nMAssay 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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586570(CHEMBL5089668)
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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC1=O)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C153H275N61O36/c1-8-85(6)119(144(250)210-106(58-62-113(160)218)138(244)198-92-38-17-15-13-11-9-10-12-14-16-37-91(125(231)200-98(46-30-72-182-147(166)167)130(236)195-93(39-18-23-65-154)123(229)192-89(120(161)226)44-28-70-180-145(162)163)194-127(233)96(42-21-26-68-157)199-139(245)108(60-64-116(222)223)209-143(249)118(84(4)5)213-142(248)111(81-117(224)225)212-140(246)107(59-63-115(220)221)208-129(235)97(197-124(92)230)43-22-27-69-158)214-141(247)109(79-83(2)3)211-136(242)104(52-36-78-188-153(178)179)205-133(239)101(49-33-75-185-150(172)173)202-132(238)100(48-32-74-184-149(170)171)203-134(240)102(50-34-76-186-151(174)175)206-137(243)105(57-61-112(159)217)207-135(241)103(51-35-77-187-152(176)177)204-131(237)99(47-31-73-183-148(168)169)201-128(234)95(41-20-25-67-156)196-126(232)94(40-19-24-66-155)193-122(228)90(45-29-71-181-146(164)165)191-114(219)82-189-121(227)110(190-86(7)215)80-87-53-55-88(216)56-54-87/h10,12,53-56,83-85,89-111,118-119,216H,8-9,11,13-52,57-82,154-158H2,1-7H3,(H2,159,217)(H2,160,218)(H2,161,226)(H,189,227)(H,190,215)(H,191,219)(H,192,229)(H,193,228)(H,194,233)(H,195,236)(H,196,232)(H,197,230)(H,198,244)(H,199,245)(H,200,231)(H,201,234)(H,202,238)(H,203,240)(H,204,237)(H,205,239)(H,206,243)(H,207,241)(H,208,235)(H,209,249)(H,210,250)(H,211,242)(H,212,246)(H,213,248)(H,214,247)(H,220,221)(H,222,223)(H,224,225)(H4,162,163,180)(H4,164,165,181)(H4,166,167,182)(H4,168,169,183)(H4,170,171,184)(H4,172,173,185)(H4,174,175,186)(H4,176,177,187)(H4,178,179,188)/b12-10+/t85-,89-,90-,91-,92+,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,118-,119-/m0/s1
Affinity DataKd:  2.41E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586571(CHEMBL5094688)
Show SMILES CC(C)C[C@H](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](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C153H275N61O36/c1-83(2)78-109(141(247)206-97(42-21-26-68-158)128(234)207-105(56-60-113(159)217)137(243)197-92-37-16-14-12-10-8-9-11-13-15-36-91(124(230)199-98(45-29-71-182-147(166)167)129(235)195-93(38-17-22-64-154)123(229)192-89(120(161)226)43-27-69-180-145(162)163)194-126(232)96(41-20-25-67-157)198-139(245)108(59-63-117(222)223)210-144(250)119(85(5)6)214-143(249)112(81-118(224)225)213-140(246)107(58-62-116(220)221)209-142(248)110(79-84(3)4)211-135(92)241)212-136(242)104(51-35-77-188-153(178)179)204-132(238)101(48-32-74-185-150(172)173)201-131(237)100(47-31-73-184-149(170)171)202-133(239)102(49-33-75-186-151(174)175)205-138(244)106(57-61-114(160)218)208-134(240)103(50-34-76-187-152(176)177)203-130(236)99(46-30-72-183-148(168)169)200-127(233)95(40-19-24-66-156)196-125(231)94(39-18-23-65-155)193-122(228)90(44-28-70-181-146(164)165)191-115(219)82-189-121(227)111(190-86(7)215)80-87-52-54-88(216)55-53-87/h9,11,52-55,83-85,89-112,119,216H,8,10,12-51,56-82,154-158H2,1-7H3,(H2,159,217)(H2,160,218)(H2,161,226)(H,189,227)(H,190,215)(H,191,219)(H,192,229)(H,193,228)(H,194,232)(H,195,235)(H,196,231)(H,197,243)(H,198,245)(H,199,230)(H,200,233)(H,201,237)(H,202,239)(H,203,236)(H,204,238)(H,205,244)(H,206,247)(H,207,234)(H,208,240)(H,209,248)(H,210,250)(H,211,241)(H,212,242)(H,213,246)(H,214,249)(H,220,221)(H,222,223)(H,224,225)(H4,162,163,180)(H4,164,165,181)(H4,166,167,182)(H4,168,169,183)(H4,170,171,184)(H4,172,173,185)(H4,174,175,186)(H4,176,177,187)(H4,178,179,188)/b11-9+/t89-,90-,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-/m0/s1
Affinity DataKd:  1.14E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586572(CHEMBL5078220)
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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C154H279N61O34/c1-10-86(7)119(144(248)210-108(61-64-114(161)219)138(242)198-94-41-20-18-16-14-12-13-15-17-19-40-93(126(230)201-100(49-33-73-183-148(167)168)130(234)196-95(42-21-26-66-155)124(228)193-91(121(162)225)47-31-71-181-146(163)164)195-128(232)98(45-24-29-69-158)199-139(243)109(62-65-116(221)222)209-143(247)118(85(5)6)213-142(246)112(82-117(223)224)212-145(249)120(87(8)11-2)214-140(244)99(200-125(94)229)46-25-30-70-159)215-141(245)110(80-84(3)4)211-136(240)106(55-39-79-189-154(179)180)206-133(237)103(52-36-76-186-151(173)174)203-132(236)102(51-35-75-185-150(171)172)204-134(238)104(53-37-77-187-152(175)176)207-137(241)107(60-63-113(160)218)208-135(239)105(54-38-78-188-153(177)178)205-131(235)101(50-34-74-184-149(169)170)202-129(233)97(44-23-28-68-157)197-127(231)96(43-22-27-67-156)194-123(227)92(48-32-72-182-147(165)166)192-115(220)83-190-122(226)111(191-88(9)216)81-89-56-58-90(217)59-57-89/h13,15,56-59,84-87,91-112,118-120,217H,10-12,14,16-55,60-83,155-159H2,1-9H3,(H2,160,218)(H2,161,219)(H2,162,225)(H,190,226)(H,191,216)(H,192,220)(H,193,228)(H,194,227)(H,195,232)(H,196,234)(H,197,231)(H,198,242)(H,199,243)(H,200,229)(H,201,230)(H,202,233)(H,203,236)(H,204,238)(H,205,235)(H,206,237)(H,207,241)(H,208,239)(H,209,247)(H,210,248)(H,211,240)(H,212,249)(H,213,246)(H,214,244)(H,215,245)(H,221,222)(H,223,224)(H4,163,164,181)(H4,165,166,182)(H4,167,168,183)(H4,169,170,184)(H4,171,172,185)(H4,173,174,186)(H4,175,176,187)(H4,177,178,188)(H4,179,180,189)/b15-13+/t86-,87-,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,118-,119-,120-/m0/s1
Affinity DataKd:  710nMAssay 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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586573(CHEMBL5086110)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](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](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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C149H264N58O37/c1-9-81(6)116(141(244)203-102(55-60-110(156)212)135(238)191-89-36-18-16-14-12-10-11-13-15-17-35-88(123(226)194-95(44-30-70-177-145(164)165)128(231)189-90(37-19-23-63-150)122(225)186-86(117(157)220)41-27-67-174-142(158)159)188-125(228)93(40-22-26-66-153)192-136(239)104(57-62-113(216)217)202-140(243)115(80(4)5)206-139(242)107(77-114(218)219)205-137(240)103(56-61-112(214)215)201-134(237)101(199-127(89)230)54-59-109(155)211)207-138(241)105(75-79(2)3)204-118(221)82(7)183-120(223)94(43-29-69-176-144(162)163)193-129(232)96(45-31-71-178-146(166)167)196-131(234)98(47-33-73-180-148(170)171)198-133(236)100(53-58-108(154)210)200-132(235)99(48-34-74-181-149(172)173)197-130(233)97(46-32-72-179-147(168)169)195-126(229)92(39-21-25-65-152)190-124(227)91(38-20-24-64-151)187-121(224)87(42-28-68-175-143(160)161)185-111(213)78-182-119(222)106(184-83(8)208)76-84-49-51-85(209)52-50-84/h11,13,49-52,79-82,86-107,115-116,209H,9-10,12,14-48,53-78,150-153H2,1-8H3,(H2,154,210)(H2,155,211)(H2,156,212)(H2,157,220)(H,182,222)(H,183,223)(H,184,208)(H,185,213)(H,186,225)(H,187,224)(H,188,228)(H,189,231)(H,190,227)(H,191,238)(H,192,239)(H,193,232)(H,194,226)(H,195,229)(H,196,234)(H,197,233)(H,198,236)(H,199,230)(H,200,235)(H,201,237)(H,202,243)(H,203,244)(H,204,221)(H,205,240)(H,206,242)(H,207,241)(H,214,215)(H,216,217)(H,218,219)(H4,158,159,174)(H4,160,161,175)(H4,162,163,176)(H4,164,165,177)(H4,166,167,178)(H4,168,169,179)(H4,170,171,180)(H4,172,173,181)/b13-11+/t81-,82-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-/m0/s1
Affinity DataKd:  3.11E+5nMAssay 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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586574(CHEMBL5093197)
Show SMILES CC[C@H](C)[C@H](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](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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C153H277N63O34S/c1-9-85(6)118(143(250)212-106(58-61-113(159)220)136(243)199-92-38-18-16-14-12-10-11-13-15-17-37-91(123(230)200-97(45-29-70-183-146(165)166)128(235)197-93(39-19-23-64-154)122(229)194-89(119(160)226)43-27-68-181-144(161)162)196-126(233)96(42-22-26-67-157)208-140(247)109(79-83(2)3)214-142(249)117(84(4)5)215-141(248)111(81-116(224)225)213-137(244)107(59-62-115(222)223)210-138(245)108(63-78-251-8)211-127(92)234)216-139(246)104(52-36-77-190-153(179)180)207-133(240)101(49-33-74-187-150(173)174)204-131(238)99(47-31-72-185-148(169)170)202-130(237)100(48-32-73-186-149(171)172)203-132(239)102(50-34-75-188-151(175)176)206-135(242)105(57-60-112(158)219)209-134(241)103(51-35-76-189-152(177)178)205-129(236)98(46-30-71-184-147(167)168)201-125(232)95(41-21-25-66-156)198-124(231)94(40-20-24-65-155)195-121(228)90(44-28-69-182-145(163)164)193-114(221)82-191-120(227)110(192-86(7)217)80-87-53-55-88(218)56-54-87/h11,13,53-56,83-85,89-111,117-118,218H,9-10,12,14-52,57-82,154-157H2,1-8H3,(H2,158,219)(H2,159,220)(H2,160,226)(H,191,227)(H,192,217)(H,193,221)(H,194,229)(H,195,228)(H,196,233)(H,197,235)(H,198,231)(H,199,243)(H,200,230)(H,201,232)(H,202,237)(H,203,239)(H,204,238)(H,205,236)(H,206,242)(H,207,240)(H,208,247)(H,209,241)(H,210,245)(H,211,234)(H,212,250)(H,213,244)(H,214,249)(H,215,248)(H,216,246)(H,222,223)(H,224,225)(H4,161,162,181)(H4,163,164,182)(H4,165,166,183)(H4,167,168,184)(H4,169,170,185)(H4,171,172,186)(H4,173,174,187)(H4,175,176,188)(H4,177,178,189)(H4,179,180,190)/b13-11+/t85-,89-,90-,91-,92+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-/m0/s1
Affinity DataKd:  2.20E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586575(CHEMBL5086210)
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](CCC(O)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C155H280N62O35/c1-10-86(7)119(144(251)213-109(61-65-116(224)225)140(247)200-94-40-20-18-16-14-12-13-15-17-19-39-93(125(232)202-99(47-31-73-184-148(166)167)130(237)198-95(41-21-25-67-156)124(231)195-91(121(161)228)45-29-71-182-146(162)163)197-128(235)98(44-24-28-70-159)201-139(246)108(60-64-115(222)223)212-143(250)118(85(5)6)215-145(252)120(87(8)11-2)216-141(248)110(62-66-117(226)227)211-136(243)105(204-126(94)233)53-37-79-190-154(178)179)217-142(249)111(81-84(3)4)214-137(244)106(54-38-80-191-155(180)181)208-133(240)102(50-34-76-187-151(172)173)205-132(239)101(49-33-75-186-150(170)171)206-134(241)103(51-35-77-188-152(174)175)209-138(245)107(59-63-113(160)220)210-135(242)104(52-36-78-189-153(176)177)207-131(238)100(48-32-74-185-149(168)169)203-129(236)97(43-23-27-69-158)199-127(234)96(42-22-26-68-157)196-123(230)92(46-30-72-183-147(164)165)194-114(221)83-192-122(229)112(193-88(9)218)82-89-55-57-90(219)58-56-89/h13,15,55-58,84-87,91-112,118-120,219H,10-12,14,16-54,59-83,156-159H2,1-9H3,(H2,160,220)(H2,161,228)(H,192,229)(H,193,218)(H,194,221)(H,195,231)(H,196,230)(H,197,235)(H,198,237)(H,199,234)(H,200,247)(H,201,246)(H,202,232)(H,203,236)(H,204,233)(H,205,239)(H,206,241)(H,207,238)(H,208,240)(H,209,245)(H,210,242)(H,211,243)(H,212,250)(H,213,251)(H,214,244)(H,215,252)(H,216,248)(H,217,249)(H,222,223)(H,224,225)(H,226,227)(H4,162,163,182)(H4,164,165,183)(H4,166,167,184)(H4,168,169,185)(H4,170,171,186)(H4,172,173,187)(H4,174,175,188)(H4,176,177,189)(H4,178,179,190)(H4,180,181,191)/b15-13+/t86-,87-,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,118-,119-,120-/m0/s1
Affinity DataKd:  610nMAssay 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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586576(CHEMBL5086836)
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]([C@@H](C)CC)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C153H274N60O36/c1-10-84(7)118(143(248)207-96-39-20-18-16-14-12-13-15-17-19-38-91(124(229)197-97(46-31-71-181-147(165)166)129(234)194-92(40-21-25-65-154)123(228)191-89(120(160)225)44-29-69-179-145(161)162)193-126(231)95(43-24-28-68-157)196-138(243)107(60-64-115(221)222)208-142(247)117(83(5)6)211-141(246)110(80-116(223)224)210-139(244)106(59-63-114(219)220)206-137(242)105(204-128(96)233)58-62-112(159)217)213-144(249)119(85(8)11-2)212-140(245)108(78-82(3)4)209-135(240)103(52-37-77-187-153(177)178)202-132(237)100(49-34-74-184-150(171)172)199-131(236)99(48-33-73-183-149(169)170)200-133(238)101(50-35-75-185-151(173)174)203-136(241)104(57-61-111(158)216)205-134(239)102(51-36-76-186-152(175)176)201-130(235)98(47-32-72-182-148(167)168)198-127(232)94(42-23-27-67-156)195-125(230)93(41-22-26-66-155)192-122(227)90(45-30-70-180-146(163)164)190-113(218)81-188-121(226)109(189-86(9)214)79-87-53-55-88(215)56-54-87/h13,15,53-56,82-85,89-110,117-119,215H,10-12,14,16-52,57-81,154-157H2,1-9H3,(H2,158,216)(H2,159,217)(H2,160,225)(H,188,226)(H,189,214)(H,190,218)(H,191,228)(H,192,227)(H,193,231)(H,194,234)(H,195,230)(H,196,243)(H,197,229)(H,198,232)(H,199,236)(H,200,238)(H,201,235)(H,202,237)(H,203,241)(H,204,233)(H,205,239)(H,206,242)(H,207,248)(H,208,247)(H,209,240)(H,210,244)(H,211,246)(H,212,245)(H,213,249)(H,219,220)(H,221,222)(H,223,224)(H4,161,162,179)(H4,163,164,180)(H4,165,166,181)(H4,167,168,182)(H4,169,170,183)(H4,171,172,184)(H4,173,174,185)(H4,175,176,186)(H4,177,178,187)/b15-13+/t84-,85-,89-,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,117-,118-,119-/m0/s1
Affinity DataKd:  3.56E+5nMAssay 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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586577(CHEMBL5085821)
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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C150H270N60O34/c1-10-84(8)117(141(244)206-104(57-60-111(156)214)135(238)195-91-37-18-16-14-12-11-13-15-17-19-38-92(124(227)196-96(45-30-68-178-144(162)163)127(230)193-93(40-21-25-63-152)122(225)190-88(118(157)221)43-28-66-176-142(158)159)203-137(240)106(75-81(2)3)207-136(239)105(58-61-114(217)218)205-140(243)116(83(6)7)209-139(242)109(78-115(219)220)189-113(216)80-185-119(222)89(191-123(91)226)39-20-24-62-151)210-138(241)107(76-82(4)5)208-133(236)102(51-36-74-184-150(174)175)201-130(233)99(48-33-71-181-147(168)169)198-129(232)98(47-32-70-180-146(166)167)199-131(234)100(49-34-72-182-148(170)171)202-134(237)103(56-59-110(155)213)204-132(235)101(50-35-73-183-149(172)173)200-128(231)97(46-31-69-179-145(164)165)197-126(229)95(42-23-27-65-154)194-125(228)94(41-22-26-64-153)192-121(224)90(44-29-67-177-143(160)161)188-112(215)79-186-120(223)108(187-85(9)211)77-86-52-54-87(212)55-53-86/h13,15,52-55,81-84,88-109,116-117,212H,10-12,14,16-51,56-80,151-154H2,1-9H3,(H2,155,213)(H2,156,214)(H2,157,221)(H,185,222)(H,186,223)(H,187,211)(H,188,215)(H,189,216)(H,190,225)(H,191,226)(H,192,224)(H,193,230)(H,194,228)(H,195,238)(H,196,227)(H,197,229)(H,198,232)(H,199,234)(H,200,231)(H,201,233)(H,202,237)(H,203,240)(H,204,235)(H,205,243)(H,206,244)(H,207,239)(H,208,236)(H,209,242)(H,210,241)(H,217,218)(H,219,220)(H4,158,159,176)(H4,160,161,177)(H4,162,163,178)(H4,164,165,179)(H4,166,167,180)(H4,168,169,181)(H4,170,171,182)(H4,172,173,183)(H4,174,175,184)/b15-13+/t84-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,116-,117-/m0/s1
Affinity DataKd:  2.14E+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
TargetBeclin-1(Homo sapiens)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50586565(CHEMBL5077489)
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](CCC(N)=O)C(=O)N[C@@H]1CCCCCC\C=C\CCC[C@H](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)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C150H268N62O36/c1-9-81(6)115(140(248)208-102(55-59-109(155)216)135(243)194-88-36-18-16-14-12-10-11-13-15-17-35-87(121(229)196-92(41-26-66-178-142(159)160)119(227)188-82(7)117(225)211-114(80(4)5)116(156)224)192-124(232)91(39-21-24-64-153)195-136(244)103(56-60-111(218)219)206-132(240)99(48-33-73-185-149(173)174)204-138(246)107(77-113(222)223)210-137(245)104(57-61-112(220)221)207-131(239)98(198-122(88)230)47-32-72-184-148(171)172)212-139(247)105(75-79(2)3)209-133(241)100(49-34-74-186-150(175)176)202-128(236)95(44-29-69-181-145(165)166)199-127(235)94(43-28-68-180-144(163)164)200-129(237)96(45-30-70-182-146(167)168)203-134(242)101(54-58-108(154)215)205-130(238)97(46-31-71-183-147(169)170)201-126(234)93(42-27-67-179-143(161)162)197-125(233)90(38-20-23-63-152)193-123(231)89(37-19-22-62-151)191-120(228)86(40-25-65-177-141(157)158)190-110(217)78-187-118(226)106(189-83(8)213)76-84-50-52-85(214)53-51-84/h11,13,50-53,79-82,86-107,114-115,214H,9-10,12,14-49,54-78,151-153H2,1-8H3,(H2,154,215)(H2,155,216)(H2,156,224)(H,187,226)(H,188,227)(H,189,213)(H,190,217)(H,191,228)(H,192,232)(H,193,231)(H,194,243)(H,195,244)(H,196,229)(H,197,233)(H,198,230)(H,199,235)(H,200,237)(H,201,234)(H,202,236)(H,203,242)(H,204,246)(H,205,238)(H,206,240)(H,207,239)(H,208,248)(H,209,241)(H,210,245)(H,211,225)(H,212,247)(H,218,219)(H,220,221)(H,222,223)(H4,157,158,177)(H4,159,160,178)(H4,161,162,179)(H4,163,164,180)(H4,165,166,181)(H4,167,168,182)(H4,169,170,183)(H4,171,172,184)(H4,173,174,185)(H4,175,176,186)/b13-11+/t81-,82-,86-,87-,88+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,114-,115-/m0/s1
Affinity DataKd:  860nMAssay 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