BDBM50115569 CHEMBL3609231

SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC

InChI Key InChIKey=QIPIGJQKZYTJRZ-BLDZXNRBSA-N

Data  4 IC50

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 4 hits for monomerid = 50115569   

TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50115569(CHEMBL3609231)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H268N54O48S7/c1-12-81(3)123-156(261)203-108(67-122(232)233)146(251)218-128(88(10)228)160(265)216-124(82(4)13-2)161(266)220-61-32-45-119(220)155(260)198-97(40-22-26-55-169)137(242)206-111(72-223)147(252)193-101(44-31-60-185-166(179)180)138(243)209-117-78-273-272-76-115-152(257)195-100(43-30-59-184-165(177)178)134(239)191-98(41-23-27-56-170)141(246)217-127(87(9)227)159(264)212-113(132(237)186-69-121(231)214-125(85(7)225)158(263)213-118(162(267)268)79-275-274-77-116(153(258)215-123)211-150(255)110(71-222)205-131(236)94(171)37-28-57-182-163(173)174)74-270-271-75-114(208-139(244)102(50-51-120(172)230)196-142(247)104(63-89-33-16-14-17-34-89)199-129(234)84(6)189-157(262)126(86(8)226)219-154(117)259)151(256)194-96(39-21-25-54-168)136(241)202-107(66-92-68-181-80-187-92)145(250)207-112(73-224)148(253)197-103(52-62-269-11)140(245)190-95(38-20-24-53-167)135(240)200-106(65-91-46-48-93(229)49-47-91)143(248)192-99(42-29-58-183-164(175)176)133(238)188-83(5)130(235)204-109(70-221)149(254)201-105(144(249)210-115)64-90-35-18-15-19-36-90/h14-19,33-36,46-49,68,80-88,94-119,123-128,221-229H,12-13,20-32,37-45,50-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,238)(H,189,262)(H,190,245)(H,191,239)(H,192,248)(H,193,252)(H,194,256)(H,195,257)(H,196,247)(H,197,253)(H,198,260)(H,199,234)(H,200,240)(H,201,254)(H,202,241)(H,203,261)(H,204,235)(H,205,236)(H,206,242)(H,207,250)(H,208,244)(H,209,243)(H,210,249)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,246)(H,218,251)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t81-,82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,123-,124-,125-,126-,127-,128-/m0/s1
Affinity DataIC50: 115nMAssay Description:Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch clam...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50115569(CHEMBL3609231)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H268N54O48S7/c1-12-81(3)123-156(261)203-108(67-122(232)233)146(251)218-128(88(10)228)160(265)216-124(82(4)13-2)161(266)220-61-32-45-119(220)155(260)198-97(40-22-26-55-169)137(242)206-111(72-223)147(252)193-101(44-31-60-185-166(179)180)138(243)209-117-78-273-272-76-115-152(257)195-100(43-30-59-184-165(177)178)134(239)191-98(41-23-27-56-170)141(246)217-127(87(9)227)159(264)212-113(132(237)186-69-121(231)214-125(85(7)225)158(263)213-118(162(267)268)79-275-274-77-116(153(258)215-123)211-150(255)110(71-222)205-131(236)94(171)37-28-57-182-163(173)174)74-270-271-75-114(208-139(244)102(50-51-120(172)230)196-142(247)104(63-89-33-16-14-17-34-89)199-129(234)84(6)189-157(262)126(86(8)226)219-154(117)259)151(256)194-96(39-21-25-54-168)136(241)202-107(66-92-68-181-80-187-92)145(250)207-112(73-224)148(253)197-103(52-62-269-11)140(245)190-95(38-20-24-53-167)135(240)200-106(65-91-46-48-93(229)49-47-91)143(248)192-99(42-29-58-183-164(175)176)133(238)188-83(5)130(235)204-109(70-221)149(254)201-105(144(249)210-115)64-90-35-18-15-19-36-90/h14-19,33-36,46-49,68,80-88,94-119,123-128,221-229H,12-13,20-32,37-45,50-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,238)(H,189,262)(H,190,245)(H,191,239)(H,192,248)(H,193,252)(H,194,256)(H,195,257)(H,196,247)(H,197,253)(H,198,260)(H,199,234)(H,200,240)(H,201,254)(H,202,241)(H,203,261)(H,204,235)(H,205,236)(H,206,242)(H,207,250)(H,208,244)(H,209,243)(H,210,249)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,246)(H,218,251)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t81-,82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,123-,124-,125-,126-,127-,128-/m0/s1
Affinity DataIC50: 641nMAssay Description:Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IFN-gamma secretion incubated for 30 prior to thapsi...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily A member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50115569(CHEMBL3609231)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H268N54O48S7/c1-12-81(3)123-156(261)203-108(67-122(232)233)146(251)218-128(88(10)228)160(265)216-124(82(4)13-2)161(266)220-61-32-45-119(220)155(260)198-97(40-22-26-55-169)137(242)206-111(72-223)147(252)193-101(44-31-60-185-166(179)180)138(243)209-117-78-273-272-76-115-152(257)195-100(43-30-59-184-165(177)178)134(239)191-98(41-23-27-56-170)141(246)217-127(87(9)227)159(264)212-113(132(237)186-69-121(231)214-125(85(7)225)158(263)213-118(162(267)268)79-275-274-77-116(153(258)215-123)211-150(255)110(71-222)205-131(236)94(171)37-28-57-182-163(173)174)74-270-271-75-114(208-139(244)102(50-51-120(172)230)196-142(247)104(63-89-33-16-14-17-34-89)199-129(234)84(6)189-157(262)126(86(8)226)219-154(117)259)151(256)194-96(39-21-25-54-168)136(241)202-107(66-92-68-181-80-187-92)145(250)207-112(73-224)148(253)197-103(52-62-269-11)140(245)190-95(38-20-24-53-167)135(240)200-106(65-91-46-48-93(229)49-47-91)143(248)192-99(42-29-58-183-164(175)176)133(238)188-83(5)130(235)204-109(70-221)149(254)201-105(144(249)210-115)64-90-35-18-15-19-36-90/h14-19,33-36,46-49,68,80-88,94-119,123-128,221-229H,12-13,20-32,37-45,50-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,238)(H,189,262)(H,190,245)(H,191,239)(H,192,248)(H,193,252)(H,194,256)(H,195,257)(H,196,247)(H,197,253)(H,198,260)(H,199,234)(H,200,240)(H,201,254)(H,202,241)(H,203,261)(H,204,235)(H,205,236)(H,206,242)(H,207,250)(H,208,244)(H,209,243)(H,210,249)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,246)(H,218,251)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t81-,82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,123-,124-,125-,126-,127-,128-/m0/s1
Affinity DataIC50: 199nMAssay Description:Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IL-2 secretion incubated for 30 prior to thapsigargi...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily A member 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50115569(CHEMBL3609231)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H268N54O48S7/c1-12-81(3)123-156(261)203-108(67-122(232)233)146(251)218-128(88(10)228)160(265)216-124(82(4)13-2)161(266)220-61-32-45-119(220)155(260)198-97(40-22-26-55-169)137(242)206-111(72-223)147(252)193-101(44-31-60-185-166(179)180)138(243)209-117-78-273-272-76-115-152(257)195-100(43-30-59-184-165(177)178)134(239)191-98(41-23-27-56-170)141(246)217-127(87(9)227)159(264)212-113(132(237)186-69-121(231)214-125(85(7)225)158(263)213-118(162(267)268)79-275-274-77-116(153(258)215-123)211-150(255)110(71-222)205-131(236)94(171)37-28-57-182-163(173)174)74-270-271-75-114(208-139(244)102(50-51-120(172)230)196-142(247)104(63-89-33-16-14-17-34-89)199-129(234)84(6)189-157(262)126(86(8)226)219-154(117)259)151(256)194-96(39-21-25-54-168)136(241)202-107(66-92-68-181-80-187-92)145(250)207-112(73-224)148(253)197-103(52-62-269-11)140(245)190-95(38-20-24-53-167)135(240)200-106(65-91-46-48-93(229)49-47-91)143(248)192-99(42-29-58-183-164(175)176)133(238)188-83(5)130(235)204-109(70-221)149(254)201-105(144(249)210-115)64-90-35-18-15-19-36-90/h14-19,33-36,46-49,68,80-88,94-119,123-128,221-229H,12-13,20-32,37-45,50-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,238)(H,189,262)(H,190,245)(H,191,239)(H,192,248)(H,193,252)(H,194,256)(H,195,257)(H,196,247)(H,197,253)(H,198,260)(H,199,234)(H,200,240)(H,201,254)(H,202,241)(H,203,261)(H,204,235)(H,205,236)(H,206,242)(H,207,250)(H,208,244)(H,209,243)(H,210,249)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,246)(H,218,251)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t81-,82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,123-,124-,125-,126-,127-,128-/m0/s1
Affinity DataIC50: 1.40nMAssay Description:Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...More data for this Ligand-Target Pair