Found 1014 hits of ic50 data for polymerid = 50000738 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 |
|---|
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115772
(CHEMBL3609094)Show 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](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CN)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 |r| Show InChI InChI=1S/C166H268N54O48S7/c1-13-81(5)123-156(261)202-107(65-122(232)233)145(250)218-128(87(11)228)160(265)216-124(82(6)14-2)161(266)220-58-31-43-119(220)155(260)196-95(38-22-25-52-168)135(240)205-110(70-222)147(252)191-99(42-30-57-185-166(179)180)136(241)209-117-77-273-272-75-115-152(257)193-97(40-28-55-183-164(175)176)132(237)189-96(39-23-26-53-169)139(244)217-127(86(10)227)159(264)212-113(131(236)186-68-121(231)214-125(84(8)225)158(263)213-118(162(267)268)78-275-274-76-116(153(258)215-123)211-150(255)109(69-221)204-130(235)93(171)36-27-54-182-163(173)174)73-270-271-74-114(208-137(242)100(48-49-120(172)230)194-141(246)103(61-88-32-17-15-18-33-88)197-129(234)83(7)188-157(262)126(85(9)226)219-154(117)259)151(256)192-94(37-21-24-51-167)133(238)201-106(64-91-67-181-79-187-91)144(249)207-111(71-223)148(253)195-101(50-59-269-12)138(243)203-108(66-170)146(251)199-105(63-90-44-46-92(229)47-45-90)142(247)190-98(41-29-56-184-165(177)178)134(239)198-102(60-80(3)4)140(245)206-112(72-224)149(254)200-104(143(248)210-115)62-89-34-19-16-20-35-89/h15-20,32-35,44-47,67,79-87,93-119,123-128,221-229H,13-14,21-31,36-43,48-66,68-78,167-171H2,1-12H3,(H2,172,230)(H,181,187)(H,186,236)(H,188,262)(H,189,237)(H,190,247)(H,191,252)(H,192,256)(H,193,257)(H,194,246)(H,195,253)(H,196,260)(H,197,234)(H,198,239)(H,199,251)(H,200,254)(H,201,238)(H,202,261)(H,203,243)(H,204,235)(H,205,240)(H,206,245)(H,207,249)(H,208,242)(H,209,241)(H,210,248)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,244)(H,218,250)(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+,93-,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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by manual whole-cell patch clamp electrophys... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115771
(CHEMBL3609093)Show 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](CC(C)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 |r| Show InChI InChI=1S/C169H274N54O48S7/c1-13-84(5)126-159(264)206-111(69-125(235)236)149(254)221-131(90(11)231)163(268)219-127(85(6)14-2)164(269)223-62-33-46-122(223)158(263)200-99(41-23-27-56-172)139(244)208-113(73-225)150(255)195-103(45-32-61-188-169(182)183)140(245)212-120-80-276-275-78-118-155(260)197-101(43-30-59-186-167(178)179)135(240)193-100(42-24-28-57-173)143(248)220-130(89(10)230)162(267)215-116(134(239)189-71-124(234)217-128(87(8)228)161(266)216-121(165(270)271)81-278-277-79-119(156(261)218-126)214-153(258)112(72-224)207-133(238)96(174)38-29-58-185-166(176)177)76-273-274-77-117(211-141(246)104(51-52-123(175)233)198-145(250)107(65-91-34-17-15-18-35-91)201-132(237)86(7)191-160(265)129(88(9)229)222-157(120)262)154(259)196-98(40-22-26-55-171)137(242)205-110(68-94-70-184-82-190-94)148(253)210-114(74-226)151(256)199-105(53-63-272-12)142(247)192-97(39-21-25-54-170)136(241)203-109(67-93-47-49-95(232)50-48-93)146(251)194-102(44-31-60-187-168(180)181)138(243)202-106(64-83(3)4)144(249)209-115(75-227)152(257)204-108(147(252)213-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-131,224-232H,13-14,21-33,38-46,51-69,71-81,170-174H2,1-12H3,(H2,175,233)(H,184,190)(H,189,239)(H,191,265)(H,192,247)(H,193,240)(H,194,251)(H,195,255)(H,196,259)(H,197,260)(H,198,250)(H,199,256)(H,200,263)(H,201,237)(H,202,243)(H,203,241)(H,204,257)(H,205,242)(H,206,264)(H,207,238)(H,208,244)(H,209,249)(H,210,253)(H,211,246)(H,212,245)(H,213,252)(H,214,258)(H,215,267)(H,216,266)(H,217,234)(H,218,261)(H,219,268)(H,220,248)(H,221,254)(H,222,262)(H,235,236)(H,270,271)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by manual whole-cell patch clamp electrophys... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115674
(CHEMBL3609263)Show 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](Cc1cccc3ccccc13)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](CC(C)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(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 |r| Show InChI InChI=1S/C178H278N54O47S7/c1-12-91(5)136-169(273)216-121(76-135(243)244)159(263)230-140(96(10)239)172(276)228-137(92(6)13-2)173(277)232-68-35-52-132(232)168(272)210-108(47-24-28-62-181)148(252)218-123(80-234)160(264)205-112(51-34-67-197-178(191)192)149(253)222-130-87-284-283-85-128-165(269)207-110(49-32-65-195-176(187)188)144(248)203-109(48-25-29-63-182)152(256)229-139(95(9)238)171(275)225-126(143(247)198-78-134(242)201-119(74-101-42-30-41-100-40-20-21-43-104(100)101)157(261)226-131(174(278)279)88-286-285-86-129(166(270)227-136)224-163(267)122(79-233)217-142(246)105(183)44-31-64-194-175(185)186)83-281-282-84-127(221-150(254)113(57-58-133(184)241)208-154(258)116(71-97-36-16-14-17-37-97)211-141(245)93(7)200-170(274)138(94(8)237)231-167(130)271)164(268)206-107(46-23-27-61-180)146(250)215-120(75-102-77-193-89-199-102)158(262)220-124(81-235)161(265)209-114(59-69-280-11)151(255)202-106(45-22-26-60-179)145(249)213-118(73-99-53-55-103(240)56-54-99)155(259)204-111(50-33-66-196-177(189)190)147(251)212-115(70-90(3)4)153(257)219-125(82-236)162(266)214-117(156(260)223-128)72-98-38-18-15-19-39-98/h14-21,30,36-43,53-56,77,89-96,105-132,136-140,233-240H,12-13,22-29,31-35,44-52,57-76,78-88,179-183H2,1-11H3,(H2,184,241)(H,193,199)(H,198,247)(H,200,274)(H,201,242)(H,202,255)(H,203,248)(H,204,259)(H,205,264)(H,206,268)(H,207,269)(H,208,258)(H,209,265)(H,210,272)(H,211,245)(H,212,251)(H,213,249)(H,214,266)(H,215,250)(H,216,273)(H,217,246)(H,218,252)(H,219,257)(H,220,262)(H,221,254)(H,222,253)(H,223,260)(H,224,267)(H,225,275)(H,226,261)(H,227,270)(H,228,276)(H,229,256)(H,230,263)(H,231,271)(H,243,244)(H,278,279)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t91-,92-,93-,94+,95+,96+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,136-,137-,138-,139-,140-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115700
(CHEMBL3609033)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C168H269N53O50S7/c1-13-82(5)125-158(264)204-109(67-124(235)236)148(254)219-130(88(11)229)162(268)217-126(83(6)14-2)163(269)221-60-31-43-120(221)157(263)198-97(39-23-26-55-171)138(244)206-111(71-223)149(255)192-100(42-30-59-186-168(180)181)139(245)210-118-78-276-275-76-116-154(260)194-98(40-28-57-184-166(176)177)134(240)195-102(49-51-123(233)234)142(248)218-129(87(10)228)161(267)213-114(133(239)187-69-122(232)215-127(85(8)226)160(266)214-119(164(270)271)79-278-277-77-117(155(261)216-125)212-152(258)110(70-222)205-132(238)94(172)36-27-56-183-165(174)175)74-273-274-75-115(209-140(246)101(48-50-121(173)231)196-144(250)105(63-89-32-17-15-18-33-89)199-131(237)84(7)189-159(265)128(86(9)227)220-156(118)262)153(259)193-96(38-22-25-54-170)136(242)203-108(66-92-68-182-80-188-92)147(253)208-112(72-224)150(256)197-103(52-61-272-12)141(247)190-95(37-21-24-53-169)135(241)201-107(65-91-44-46-93(230)47-45-91)145(251)191-99(41-29-58-185-167(178)179)137(243)200-104(62-81(3)4)143(249)207-113(73-225)151(257)202-106(146(252)211-116)64-90-34-19-16-20-35-90/h15-20,32-35,44-47,68,80-88,94-120,125-130,222-230H,13-14,21-31,36-43,48-67,69-79,169-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,239)(H,189,265)(H,190,247)(H,191,251)(H,192,255)(H,193,259)(H,194,260)(H,195,240)(H,196,250)(H,197,256)(H,198,263)(H,199,237)(H,200,243)(H,201,241)(H,202,257)(H,203,242)(H,204,264)(H,205,238)(H,206,244)(H,207,249)(H,208,253)(H,209,246)(H,210,245)(H,211,252)(H,212,258)(H,213,267)(H,214,266)(H,215,232)(H,216,261)(H,217,268)(H,218,248)(H,219,254)(H,220,262)(H,233,234)(H,235,236)(H,270,271)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,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-,120-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115816
(CHEMBL3609063)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)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](CC(C)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)O)[C@@H](C)CC |r| Show InChI InChI=1S/C169H275N55O48S7/c1-11-85(4)127-164(270)224-63-32-46-123(224)159(265)202-100(41-21-26-57-173)140(246)210-114(74-226)151(257)196-104(45-31-62-189-169(183)184)141(247)214-121-81-277-276-79-119-156(262)199-102(43-29-60-187-167(179)180)135(241)194-101(42-22-27-58-174)144(250)221-130(89(8)231)162(268)217-117(134(240)190-72-125(235)219-128(87(6)229)161(267)218-122(165(271)272)82-279-278-80-120(216-154(260)113(73-225)209-133(239)96(175)37-28-59-186-166(177)178)157(263)198-99(40-20-25-56-172)138(244)208-112(70-126(236)237)150(256)222-131(90(9)232)163(269)220-127)77-274-275-78-118(213-142(248)105(51-52-124(176)234)200-146(252)108(66-91-33-14-12-15-34-91)203-132(238)86(5)192-160(266)129(88(7)230)223-158(121)264)155(261)197-98(39-19-24-55-171)137(243)207-111(69-94-71-185-83-191-94)149(255)212-115(75-227)152(258)201-106(53-64-273-10)143(249)193-97(38-18-23-54-170)136(242)205-110(68-93-47-49-95(233)50-48-93)147(253)195-103(44-30-61-188-168(181)182)139(245)204-107(65-84(2)3)145(251)211-116(76-228)153(259)206-109(148(254)215-119)67-92-35-16-13-17-36-92/h12-17,33-36,47-50,71,83-90,96-123,127-131,225-233H,11,18-32,37-46,51-70,72-82,170-175H2,1-10H3,(H2,176,234)(H,185,191)(H,190,240)(H,192,266)(H,193,249)(H,194,241)(H,195,253)(H,196,257)(H,197,261)(H,198,263)(H,199,262)(H,200,252)(H,201,258)(H,202,265)(H,203,238)(H,204,245)(H,205,242)(H,206,259)(H,207,243)(H,208,244)(H,209,239)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,268)(H,218,267)(H,219,235)(H,220,269)(H,221,250)(H,222,256)(H,223,264)(H,236,237)(H,271,272)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115495
(CHEMBL3608994)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)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](CC(C)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)O)[C@@H](C)CC |r| Show InChI InChI=1S/C166H268N54O48S7/c1-12-82(4)124-161(266)220-60-31-44-120(220)156(261)198-97(39-21-25-54-169)137(242)206-111(71-222)148(253)193-101(43-30-59-185-166(179)180)138(243)210-118-78-273-272-77-117-154(259)195-99(41-28-57-183-164(175)176)133(238)191-98(40-22-26-55-170)141(246)217-127(87(9)227)159(264)213-114(132(237)186-69-122(231)215-125(85(7)225)158(263)214-119(162(267)268)79-275-274-75-115(212-151(256)110(70-221)205-131(236)94(171)36-27-56-182-163(173)174)152(257)188-83(5)129(234)200-109(67-123(232)233)147(252)218-128(88(10)228)160(265)216-124)74-270-271-76-116(209-139(244)102(49-50-121(172)230)196-143(248)105(63-89-32-15-13-16-33-89)199-130(235)84(6)189-157(262)126(86(8)226)219-155(118)260)153(258)194-96(38-20-24-53-168)135(240)204-108(66-92-68-181-80-187-92)146(251)208-112(72-223)149(254)197-103(51-61-269-11)140(245)190-95(37-19-23-52-167)134(239)202-107(65-91-45-47-93(229)48-46-91)144(249)192-100(42-29-58-184-165(177)178)136(241)201-104(62-81(2)3)142(247)207-113(73-224)150(255)203-106(145(250)211-117)64-90-34-17-14-18-35-90/h13-18,32-35,45-48,68,80-88,94-120,124-128,221-229H,12,19-31,36-44,49-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,257)(H,189,262)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,258)(H,195,259)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,234)(H,201,241)(H,202,239)(H,203,255)(H,204,240)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,264)(H,214,263)(H,215,231)(H,216,265)(H,217,246)(H,218,252)(H,219,260)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t82-,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-,120-,124-,125-,126-,127-,128-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115683
(CHEMBL3609272)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C171H276N54O49S7/c1-13-85(5)128-161(267)209-113(71-127(238)239)152(258)223-133(91(11)232)165(271)221-129(86(6)14-2)166(272)225-64-33-46-123(225)160(266)203-100(41-23-27-58-174)137(243)200-106(52-54-126(236)237)143(249)196-104(45-32-63-190-171(184)185)142(248)214-121-81-279-278-79-119-157(263)199-102(43-30-61-188-169(180)181)138(244)195-101(42-24-28-59-175)146(252)222-132(90(10)231)164(270)217-117(136(242)191-73-125(235)219-130(88(8)229)163(269)218-122(167(273)274)82-281-280-80-120(158(264)220-128)216-155(261)114(74-226)210-135(241)97(176)38-29-60-187-168(178)179)77-276-277-78-118(213-144(250)105(51-53-124(177)234)201-148(254)109(67-92-34-17-15-18-35-92)204-134(240)87(7)193-162(268)131(89(9)230)224-159(121)265)156(262)198-99(40-22-26-57-173)140(246)208-112(70-95-72-186-83-192-95)151(257)212-115(75-227)153(259)202-107(55-65-275-12)145(251)194-98(39-21-25-56-172)139(245)206-111(69-94-47-49-96(233)50-48-94)149(255)197-103(44-31-62-189-170(182)183)141(247)205-108(66-84(3)4)147(253)211-116(76-228)154(260)207-110(150(256)215-119)68-93-36-19-16-20-37-93/h15-20,34-37,47-50,72,83-91,97-123,128-133,226-233H,13-14,21-33,38-46,51-71,73-82,172-176H2,1-12H3,(H2,177,234)(H,186,192)(H,191,242)(H,193,268)(H,194,251)(H,195,244)(H,196,249)(H,197,255)(H,198,262)(H,199,263)(H,200,243)(H,201,254)(H,202,259)(H,203,266)(H,204,240)(H,205,247)(H,206,245)(H,207,260)(H,208,246)(H,209,267)(H,210,241)(H,211,253)(H,212,257)(H,213,250)(H,214,248)(H,215,256)(H,216,261)(H,217,270)(H,218,269)(H,219,235)(H,220,264)(H,221,271)(H,222,252)(H,223,258)(H,224,265)(H,236,237)(H,238,239)(H,273,274)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115676
(CHEMBL3609265)Show 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](CC(C)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](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C171H276N54O49S7/c1-13-85(5)128-161(267)209-113(71-127(238)239)152(258)223-133(91(11)232)165(271)221-129(86(6)14-2)166(272)225-64-33-46-123(225)160(266)203-100(41-23-27-58-174)141(247)210-114(74-226)153(259)198-104(45-32-63-190-171(184)185)142(248)214-121-81-279-278-79-119-157(263)200-102(43-30-61-188-169(180)181)137(243)196-101(42-24-28-59-175)146(252)222-132(90(10)231)164(270)217-117(136(242)191-73-125(235)219-130(88(8)229)163(269)218-122(167(273)274)82-281-280-80-120(158(264)220-128)215-144(250)106(52-54-126(236)237)194-135(241)97(176)38-29-60-187-168(178)179)77-276-277-78-118(213-143(249)105(51-53-124(177)234)201-148(254)109(67-92-34-17-15-18-35-92)204-134(240)87(7)193-162(268)131(89(9)230)224-159(121)265)156(262)199-99(40-22-26-57-173)139(245)208-112(70-95-72-186-83-192-95)151(257)212-115(75-227)154(260)202-107(55-65-275-12)145(251)195-98(39-21-25-56-172)138(244)206-111(69-94-47-49-96(233)50-48-94)149(255)197-103(44-31-62-189-170(182)183)140(246)205-108(66-84(3)4)147(253)211-116(76-228)155(261)207-110(150(256)216-119)68-93-36-19-16-20-37-93/h15-20,34-37,47-50,72,83-91,97-123,128-133,226-233H,13-14,21-33,38-46,51-71,73-82,172-176H2,1-12H3,(H2,177,234)(H,186,192)(H,191,242)(H,193,268)(H,194,241)(H,195,251)(H,196,243)(H,197,255)(H,198,259)(H,199,262)(H,200,263)(H,201,254)(H,202,260)(H,203,266)(H,204,240)(H,205,246)(H,206,244)(H,207,261)(H,208,245)(H,209,267)(H,210,247)(H,211,253)(H,212,257)(H,213,249)(H,214,248)(H,215,250)(H,216,256)(H,217,270)(H,218,269)(H,219,235)(H,220,264)(H,221,271)(H,222,252)(H,223,258)(H,224,265)(H,236,237)(H,238,239)(H,273,274)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115773
(CHEMBL3609095)Show 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](CC(C)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](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C184H295N56O56PS7/c1-13-94(5)140-174(283)223-124(78-139(253)254)164(273)238-145(100(11)248)178(287)236-141(95(6)14-2)179(288)240-67-33-46-135(240)173(282)217-112(40-23-27-60-187)154(263)225-125(81-241)165(274)212-116(45-32-65-204-184(197)198)155(264)229-133-90-302-301-88-131-170(279)214-114(43-30-63-202-182(193)194)150(259)210-113(41-24-28-61-188)158(267)237-144(99(10)247)177(286)232-129(148(257)205-80-137(251)234-142(97(8)245)176(285)233-134(180(289)290)91-304-303-89-132(171(280)235-140)231-168(277)128(84-244)224-149(258)109(42-29-62-201-181(191)192)208-138(252)85-295-70-69-294-68-66-200-147(256)108(189)73-103-49-53-107(54-50-103)296-297(291,292)293)86-299-300-87-130(228-156(265)117(55-56-136(190)250)215-160(269)120(74-101-34-17-15-18-35-101)218-146(255)96(7)207-175(284)143(98(9)246)239-172(133)281)169(278)213-111(39-22-26-59-186)152(261)222-123(77-105-79-199-92-206-105)163(272)227-126(82-242)166(275)216-118(57-71-298-12)157(266)209-110(38-21-25-58-185)151(260)220-122(76-104-47-51-106(249)52-48-104)161(270)211-115(44-31-64-203-183(195)196)153(262)219-119(72-93(3)4)159(268)226-127(83-243)167(276)221-121(162(271)230-131)75-102-36-19-16-20-37-102/h15-20,34-37,47-54,79,92-100,108-135,140-145,241-249H,13-14,21-33,38-46,55-78,80-91,185-189H2,1-12H3,(H2,190,250)(H,199,206)(H,200,256)(H,205,257)(H,207,284)(H,208,252)(H,209,266)(H,210,259)(H,211,270)(H,212,274)(H,213,278)(H,214,279)(H,215,269)(H,216,275)(H,217,282)(H,218,255)(H,219,262)(H,220,260)(H,221,276)(H,222,261)(H,223,283)(H,224,258)(H,225,263)(H,226,268)(H,227,272)(H,228,265)(H,229,264)(H,230,271)(H,231,277)(H,232,286)(H,233,285)(H,234,251)(H,235,280)(H,236,287)(H,237,267)(H,238,273)(H,239,281)(H,253,254)(H,289,290)(H4,191,192,201)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H2,291,292,293)/t94-,95-,96-,97+,98+,99+,100+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,140-,141-,142-,143-,144-,145-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115677
(CHEMBL3609266)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)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](CC(C)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)O)[C@@H](C)CC |r| Show InChI InChI=1S/C168H270N54O50S7/c1-11-83(4)126-163(270)222-61-30-43-121(222)158(265)200-97(38-20-24-55-171)138(245)208-112(72-224)150(257)194-101(42-29-60-187-168(181)182)139(246)212-119-79-277-276-77-117-155(262)196-99(40-27-58-185-166(177)178)134(241)192-98(39-21-25-56-172)143(250)219-129(87(8)229)161(268)215-115(133(240)188-70-123(233)217-127(85(6)227)160(267)216-120(164(271)272)80-279-278-78-118(214-153(260)111(71-223)207-132(239)94(173)35-26-57-184-165(175)176)156(263)198-103(49-51-124(234)235)140(247)206-110(68-125(236)237)149(256)220-130(88(9)230)162(269)218-126)75-274-275-76-116(211-141(248)102(48-50-122(174)232)197-145(252)106(64-89-31-14-12-15-32-89)201-131(238)84(5)190-159(266)128(86(7)228)221-157(119)264)154(261)195-96(37-19-23-54-170)136(243)205-109(67-92-69-183-81-189-92)148(255)210-113(73-225)151(258)199-104(52-62-273-10)142(249)191-95(36-18-22-53-169)135(242)203-108(66-91-44-46-93(231)47-45-91)146(253)193-100(41-28-59-186-167(179)180)137(244)202-105(63-82(2)3)144(251)209-114(74-226)152(259)204-107(147(254)213-117)65-90-33-16-13-17-34-90/h12-17,31-34,44-47,69,81-88,94-121,126-130,223-231H,11,18-30,35-43,48-68,70-80,169-173H2,1-10H3,(H2,174,232)(H,183,189)(H,188,240)(H,190,266)(H,191,249)(H,192,241)(H,193,253)(H,194,257)(H,195,261)(H,196,262)(H,197,252)(H,198,263)(H,199,258)(H,200,265)(H,201,238)(H,202,244)(H,203,242)(H,204,259)(H,205,243)(H,206,247)(H,207,239)(H,208,245)(H,209,251)(H,210,255)(H,211,248)(H,212,246)(H,213,254)(H,214,260)(H,215,268)(H,216,267)(H,217,233)(H,218,269)(H,219,250)(H,220,256)(H,221,264)(H,234,235)(H,236,237)(H,271,272)(H4,175,176,184)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t83-,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-,120-,121-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115505
(CHEMBL3609224)Show 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](CC(C)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](C)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 |r| Show InChI InChI=1S/C166H267N53O48S7/c1-14-81(5)123-156(260)202-108(66-122(231)232)146(250)217-128(88(12)227)160(264)215-124(82(6)15-2)161(265)219-59-32-44-119(219)155(259)196-96(39-23-26-53-168)136(240)204-110(70-221)147(251)192-100(43-31-58-184-166(178)179)137(241)208-117-77-272-271-75-115-152(256)193-98(41-29-56-182-164(174)175)133(237)190-97(40-24-27-54-169)140(244)216-127(87(11)226)159(263)211-113(132(236)185-68-121(230)213-125(85(9)224)158(262)212-118(162(266)267)78-274-273-76-116(153(257)214-123)210-150(254)109(69-220)203-131(235)94(170)37-28-55-181-163(172)173)73-269-270-74-114(207-138(242)101(49-50-120(171)229)194-142(246)104(62-89-33-18-16-19-34-89)197-130(234)84(8)188-157(261)126(86(10)225)218-154(117)258)151(255)187-83(7)129(233)198-107(65-92-67-180-79-186-92)145(249)206-111(71-222)148(252)195-102(51-60-268-13)139(243)189-95(38-22-25-52-167)134(238)200-106(64-91-45-47-93(228)48-46-91)143(247)191-99(42-30-57-183-165(176)177)135(239)199-103(61-80(3)4)141(245)205-112(72-223)149(253)201-105(144(248)209-115)63-90-35-20-17-21-36-90/h16-21,33-36,45-48,67,79-88,94-119,123-128,220-228H,14-15,22-32,37-44,49-66,68-78,167-170H2,1-13H3,(H2,171,229)(H,180,186)(H,185,236)(H,187,255)(H,188,261)(H,189,243)(H,190,237)(H,191,247)(H,192,251)(H,193,256)(H,194,246)(H,195,252)(H,196,259)(H,197,234)(H,198,233)(H,199,239)(H,200,238)(H,201,253)(H,202,260)(H,203,235)(H,204,240)(H,205,245)(H,206,249)(H,207,242)(H,208,241)(H,209,248)(H,210,254)(H,211,263)(H,212,262)(H,213,230)(H,214,257)(H,215,264)(H,216,244)(H,217,250)(H,218,258)(H,231,232)(H,266,267)(H4,172,173,181)(H4,174,175,182)(H4,176,177,183)(H4,178,179,184)/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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115627
(CHEMBL3609261)Show 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](CC(C)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](Cc3cccc4ccccc34)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 |r| Show InChI InChI=1S/C178H278N54O47S7/c1-12-91(5)136-169(273)216-121(76-135(243)244)159(263)230-140(96(10)239)172(276)229-137(92(6)13-2)173(277)232-68-35-52-132(232)168(272)209-109(48-25-29-63-182)149(253)218-123(80-234)160(264)204-112(51-34-67-197-178(191)192)150(254)223-130-87-284-283-85-128-165(269)206-110(49-32-65-195-176(187)188)144(248)201-107(46-23-27-61-180)146(250)214-119(74-101-42-30-41-100-40-20-21-43-104(100)101)157(261)221-126(143(247)198-78-134(242)227-138(94(8)237)171(275)226-131(174(278)279)88-286-285-86-129(166(270)228-136)225-163(267)122(79-233)217-142(246)105(183)44-31-64-194-175(185)186)83-281-282-84-127(222-151(255)113(57-58-133(184)241)207-154(258)116(71-97-36-16-14-17-37-97)210-141(245)93(7)200-170(274)139(95(9)238)231-167(130)271)164(268)205-108(47-24-28-62-181)147(251)215-120(75-102-77-193-89-199-102)158(262)220-124(81-235)161(265)208-114(59-69-280-11)152(256)202-106(45-22-26-60-179)145(249)212-118(73-99-53-55-103(240)56-54-99)155(259)203-111(50-33-66-196-177(189)190)148(252)211-115(70-90(3)4)153(257)219-125(82-236)162(266)213-117(156(260)224-128)72-98-38-18-15-19-39-98/h14-21,30,36-43,53-56,77,89-96,105-132,136-140,233-240H,12-13,22-29,31-35,44-52,57-76,78-88,179-183H2,1-11H3,(H2,184,241)(H,193,199)(H,198,247)(H,200,274)(H,201,248)(H,202,256)(H,203,259)(H,204,264)(H,205,268)(H,206,269)(H,207,258)(H,208,265)(H,209,272)(H,210,245)(H,211,252)(H,212,249)(H,213,266)(H,214,250)(H,215,251)(H,216,273)(H,217,246)(H,218,253)(H,219,257)(H,220,262)(H,221,261)(H,222,255)(H,223,254)(H,224,260)(H,225,267)(H,226,275)(H,227,242)(H,228,270)(H,229,276)(H,230,263)(H,231,271)(H,243,244)(H,278,279)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/t91-,92-,93-,94+,95+,96+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,136-,137-,138-,139-,140-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115498
(CHEMBL3608997)Show SMILES [H][C@@]12CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=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)CNC3=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)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O |r| Show InChI InChI=1S/C167H272N54O48S7/c1-14-82(5)124-157(262)189-84(7)130(235)191-96(39-22-26-53-168)138(243)207-112(71-223)149(254)195-102(45-33-60-186-167(180)181)139(244)211-119-78-274-273-76-117-154(259)197-100(43-31-58-184-165(176)177)134(239)193-99(42-25-29-56-171)142(247)219-128(88(11)228)161(266)214-115(133(238)187-69-122(232)216-126(86(9)226)160(265)215-120(163(268)269)79-276-275-77-118(213-152(257)111(70-222)206-132(237)95(172)38-30-57-183-164(174)175)155(260)217-125(83(6)15-2)158(263)205-110(67-123(233)234)148(253)220-129(89(12)229)162(267)218-124)74-271-272-75-116(210-140(245)103(50-51-121(173)231)198-144(249)106(63-90-34-18-16-19-35-90)200-131(236)85(8)190-159(264)127(87(10)227)221-156(119)261)153(258)196-98(41-24-28-55-170)136(241)204-109(66-93-68-182-80-188-93)147(252)209-113(72-224)150(255)199-104(52-61-270-13)141(246)192-97(40-23-27-54-169)135(240)202-108(65-92-46-48-94(230)49-47-92)145(250)194-101(44-32-59-185-166(178)179)137(242)201-105(62-81(3)4)143(248)208-114(73-225)151(256)203-107(146(251)212-117)64-91-36-20-17-21-37-91/h16-21,34-37,46-49,68,80-89,95-120,124-129,222-230H,14-15,22-33,38-45,50-67,69-79,168-172H2,1-13H3,(H2,173,231)(H,182,188)(H,187,238)(H,189,262)(H,190,264)(H,191,235)(H,192,246)(H,193,239)(H,194,250)(H,195,254)(H,196,258)(H,197,259)(H,198,249)(H,199,255)(H,200,236)(H,201,242)(H,202,240)(H,203,256)(H,204,241)(H,205,263)(H,206,237)(H,207,243)(H,208,248)(H,209,252)(H,210,245)(H,211,244)(H,212,251)(H,213,257)(H,214,266)(H,215,265)(H,216,232)(H,217,260)(H,218,267)(H,219,247)(H,220,253)(H,221,261)(H,233,234)(H,268,269)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,83-,84-,85-,86+,87+,88+,89+,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-,120-,124-,125-,126-,127-,128-,129-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115686
(CHEMBL3609022)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cccc3ccccc13)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](CCC(O)=O)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](CC(C)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 |r| Show InChI InChI=1S/C180H282N54O48S7/c1-12-92(5)137-170(275)217-121(76-102-42-30-41-101-40-20-21-43-105(101)102)160(265)232-142(97(10)242)174(279)230-138(93(6)13-2)175(280)234-70-35-52-133(234)169(274)210-109(47-24-28-64-183)149(254)219-124(81-236)161(266)205-113(51-34-69-199-180(193)194)150(255)223-131-88-287-286-86-129-166(271)207-111(49-32-67-197-178(189)190)145(250)203-110(48-25-29-65-184)154(259)231-141(96(9)241)173(278)226-127(144(249)200-79-135(245)228-139(94(7)239)171(276)227-132(176(281)282)89-289-288-87-130(167(272)229-137)225-164(269)123(80-235)218-143(248)106(185)44-31-66-196-177(187)188)84-284-285-85-128(222-152(257)114(57-59-134(186)244)208-157(262)118(73-98-36-16-14-17-37-98)214-151(256)115(58-60-136(246)247)211-172(277)140(95(8)240)233-168(131)273)165(270)206-108(46-23-27-63-182)147(252)216-122(77-103-78-195-90-201-103)159(264)221-125(82-237)162(267)209-116(61-71-283-11)153(258)202-107(45-22-26-62-181)146(251)213-120(75-100-53-55-104(243)56-54-100)156(261)204-112(50-33-68-198-179(191)192)148(253)212-117(72-91(3)4)155(260)220-126(83-238)163(268)215-119(158(263)224-129)74-99-38-18-15-19-39-99/h14-21,30,36-43,53-56,78,90-97,106-133,137-142,235-243H,12-13,22-29,31-35,44-52,57-77,79-89,181-185H2,1-11H3,(H2,186,244)(H,195,201)(H,200,249)(H,202,258)(H,203,250)(H,204,261)(H,205,266)(H,206,270)(H,207,271)(H,208,262)(H,209,267)(H,210,274)(H,211,277)(H,212,253)(H,213,251)(H,214,256)(H,215,268)(H,216,252)(H,217,275)(H,218,248)(H,219,254)(H,220,260)(H,221,264)(H,222,257)(H,223,255)(H,224,263)(H,225,269)(H,226,278)(H,227,276)(H,228,245)(H,229,272)(H,230,279)(H,231,259)(H,232,265)(H,233,273)(H,246,247)(H,281,282)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t92-,93-,94+,95+,96+,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,137-,138-,139-,140-,141-,142-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115814
(CHEMBL3609062)Show 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](CC(C)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)CCCCN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C169H274N52O48S7/c1-13-85(5)127-160(262)204-112(70-126(233)234)150(252)219-132(91(11)229)164(266)217-128(86(6)14-2)165(267)221-63-34-47-123(221)159(261)198-100(42-24-29-58-173)140(242)206-114(74-223)151(253)193-104(46-33-62-186-169(181)182)141(243)210-121-81-274-273-79-119-156(258)195-102(44-31-60-184-167(177)178)136(238)191-101(43-25-30-59-174)144(246)218-131(90(10)228)163(265)213-117(135(237)187-72-125(232)215-129(88(8)226)162(264)214-122(166(268)269)82-276-275-80-120(157(259)216-127)212-154(256)113(73-222)205-134(236)97(175)39-21-26-55-170)77-271-272-78-118(209-142(244)105(52-53-124(176)231)196-146(248)108(66-92-35-17-15-18-36-92)199-133(235)87(7)189-161(263)130(89(9)227)220-158(121)260)155(257)194-99(41-23-28-57-172)138(240)203-111(69-95-71-183-83-188-95)149(251)208-115(75-224)152(254)197-106(54-64-270-12)143(245)190-98(40-22-27-56-171)137(239)201-110(68-94-48-50-96(230)51-49-94)147(249)192-103(45-32-61-185-168(179)180)139(241)200-107(65-84(3)4)145(247)207-116(76-225)153(255)202-109(148(250)211-119)67-93-37-19-16-20-38-93/h15-20,35-38,48-51,71,83-91,97-123,127-132,222-230H,13-14,21-34,39-47,52-70,72-82,170-175H2,1-12H3,(H2,176,231)(H,183,188)(H,187,237)(H,189,263)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,257)(H,195,258)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,241)(H,201,239)(H,202,255)(H,203,240)(H,204,262)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-,132-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115771
(CHEMBL3609093)Show 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](CC(C)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 |r| Show InChI InChI=1S/C169H274N54O48S7/c1-13-84(5)126-159(264)206-111(69-125(235)236)149(254)221-131(90(11)231)163(268)219-127(85(6)14-2)164(269)223-62-33-46-122(223)158(263)200-99(41-23-27-56-172)139(244)208-113(73-225)150(255)195-103(45-32-61-188-169(182)183)140(245)212-120-80-276-275-78-118-155(260)197-101(43-30-59-186-167(178)179)135(240)193-100(42-24-28-57-173)143(248)220-130(89(10)230)162(267)215-116(134(239)189-71-124(234)217-128(87(8)228)161(266)216-121(165(270)271)81-278-277-79-119(156(261)218-126)214-153(258)112(72-224)207-133(238)96(174)38-29-58-185-166(176)177)76-273-274-77-117(211-141(246)104(51-52-123(175)233)198-145(250)107(65-91-34-17-15-18-35-91)201-132(237)86(7)191-160(265)129(88(9)229)222-157(120)262)154(259)196-98(40-22-26-55-171)137(242)205-110(68-94-70-184-82-190-94)148(253)210-114(74-226)151(256)199-105(53-63-272-12)142(247)192-97(39-21-25-54-170)136(241)203-109(67-93-47-49-95(232)50-48-93)146(251)194-102(44-31-60-187-168(180)181)138(243)202-106(64-83(3)4)144(249)209-115(75-227)152(257)204-108(147(252)213-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-131,224-232H,13-14,21-33,38-46,51-69,71-81,170-174H2,1-12H3,(H2,175,233)(H,184,190)(H,189,239)(H,191,265)(H,192,247)(H,193,240)(H,194,251)(H,195,255)(H,196,259)(H,197,260)(H,198,250)(H,199,256)(H,200,263)(H,201,237)(H,202,243)(H,203,241)(H,204,257)(H,205,242)(H,206,264)(H,207,238)(H,208,244)(H,209,249)(H,210,253)(H,211,246)(H,212,245)(H,213,252)(H,214,258)(H,215,267)(H,216,266)(H,217,234)(H,218,261)(H,219,268)(H,220,248)(H,221,254)(H,222,262)(H,235,236)(H,270,271)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115682
(CHEMBL3609271)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C168H269N53O50S7/c1-13-82(5)125-158(264)204-109(67-124(235)236)148(254)219-130(88(11)229)162(268)217-126(83(6)14-2)163(269)221-60-31-43-120(221)157(263)198-102(49-51-123(233)234)139(245)206-111(71-223)149(255)193-100(42-30-59-186-168(180)181)138(244)210-118-78-276-275-76-116-154(260)195-98(40-28-57-184-166(176)177)134(240)191-97(39-23-26-55-171)142(248)218-129(87(10)228)161(267)213-114(133(239)187-69-122(232)215-127(85(8)226)160(266)214-119(164(270)271)79-278-277-77-117(155(261)216-125)212-152(258)110(70-222)205-132(238)94(172)36-27-56-183-165(174)175)74-273-274-75-115(209-140(246)101(48-50-121(173)231)196-144(250)105(63-89-32-17-15-18-33-89)199-131(237)84(7)189-159(265)128(86(9)227)220-156(118)262)153(259)194-96(38-22-25-54-170)136(242)203-108(66-92-68-182-80-188-92)147(253)208-112(72-224)150(256)197-103(52-61-272-12)141(247)190-95(37-21-24-53-169)135(241)201-107(65-91-44-46-93(230)47-45-91)145(251)192-99(41-29-58-185-167(178)179)137(243)200-104(62-81(3)4)143(249)207-113(73-225)151(257)202-106(146(252)211-116)64-90-34-19-16-20-35-90/h15-20,32-35,44-47,68,80-88,94-120,125-130,222-230H,13-14,21-31,36-43,48-67,69-79,169-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,239)(H,189,265)(H,190,247)(H,191,240)(H,192,251)(H,193,255)(H,194,259)(H,195,260)(H,196,250)(H,197,256)(H,198,263)(H,199,237)(H,200,243)(H,201,241)(H,202,257)(H,203,242)(H,204,264)(H,205,238)(H,206,245)(H,207,249)(H,208,253)(H,209,246)(H,210,244)(H,211,252)(H,212,258)(H,213,267)(H,214,266)(H,215,232)(H,216,261)(H,217,268)(H,218,248)(H,219,254)(H,220,262)(H,233,234)(H,235,236)(H,270,271)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,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-,120-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115798
(CHEMBL3609048)Show 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](CC(C)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](CCCNC(N)=N)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 |r| Show InChI InChI=1S/C169H274N56O48S7/c1-13-83(5)125-158(266)208-110(68-124(237)238)148(256)223-130(89(11)233)162(270)221-126(84(6)14-2)163(271)225-61-32-45-121(225)157(265)202-97(39-22-25-54-171)138(246)210-112(72-227)149(257)197-102(44-31-60-190-169(183)184)139(247)214-119-79-278-277-77-117-154(262)198-99(41-28-57-187-166(177)178)134(242)195-98(40-23-26-55-172)142(250)222-129(88(10)232)161(269)217-115(133(241)191-70-123(236)219-127(86(8)230)160(268)218-120(164(272)273)80-280-279-78-118(155(263)220-125)216-152(260)111(71-226)209-132(240)95(173)37-27-56-186-165(175)176)75-275-276-76-116(213-140(248)103(50-51-122(174)235)200-144(252)106(64-90-33-17-15-18-34-90)203-131(239)85(7)193-159(267)128(87(9)231)224-156(119)264)153(261)199-101(43-30-59-189-168(181)182)137(245)207-109(67-93-69-185-81-192-93)147(255)212-113(73-228)150(258)201-104(52-62-274-12)141(249)194-96(38-21-24-53-170)135(243)205-108(66-92-46-48-94(234)49-47-92)145(253)196-100(42-29-58-188-167(179)180)136(244)204-105(63-82(3)4)143(251)211-114(74-229)151(259)206-107(146(254)215-117)65-91-35-19-16-20-36-91/h15-20,33-36,46-49,69,81-89,95-121,125-130,226-234H,13-14,21-32,37-45,50-68,70-80,170-173H2,1-12H3,(H2,174,235)(H,185,192)(H,191,241)(H,193,267)(H,194,249)(H,195,242)(H,196,253)(H,197,257)(H,198,262)(H,199,261)(H,200,252)(H,201,258)(H,202,265)(H,203,239)(H,204,244)(H,205,243)(H,206,259)(H,207,245)(H,208,266)(H,209,240)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,269)(H,218,268)(H,219,236)(H,220,263)(H,221,270)(H,222,250)(H,223,256)(H,224,264)(H,237,238)(H,272,273)(H4,175,176,186)(H4,177,178,187)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t83-,84-,85-,86+,87+,88+,89+,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-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0380 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115807
(CHEMBL3609058)Show 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](CC(C)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](CCCNC(N)=N)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 |r| Show InChI InChI=1S/C169H274N56O48S7/c1-13-83(5)125-158(266)208-110(68-124(237)238)148(256)223-130(89(11)233)162(270)221-126(84(6)14-2)163(271)225-61-32-45-121(225)157(265)202-98(40-23-26-55-172)138(246)210-112(72-227)149(257)197-101(43-30-59-189-168(181)182)139(247)214-119-79-278-277-77-117-154(262)199-99(41-28-57-187-166(177)178)134(242)195-102(44-31-60-190-169(183)184)142(250)222-129(88(10)232)161(269)217-115(133(241)191-70-123(236)219-127(86(8)230)160(268)218-120(164(272)273)80-280-279-78-118(155(263)220-125)216-152(260)111(71-226)209-132(240)95(173)37-27-56-186-165(175)176)75-275-276-76-116(213-140(248)103(50-51-122(174)235)200-144(252)106(64-90-33-17-15-18-34-90)203-131(239)85(7)193-159(267)128(87(9)231)224-156(119)264)153(261)198-97(39-22-25-54-171)136(244)207-109(67-93-69-185-81-192-93)147(255)212-113(73-228)150(258)201-104(52-62-274-12)141(249)194-96(38-21-24-53-170)135(243)205-108(66-92-46-48-94(234)49-47-92)145(253)196-100(42-29-58-188-167(179)180)137(245)204-105(63-82(3)4)143(251)211-114(74-229)151(259)206-107(146(254)215-117)65-91-35-19-16-20-36-91/h15-20,33-36,46-49,69,81-89,95-121,125-130,226-234H,13-14,21-32,37-45,50-68,70-80,170-173H2,1-12H3,(H2,174,235)(H,185,192)(H,191,241)(H,193,267)(H,194,249)(H,195,242)(H,196,253)(H,197,257)(H,198,261)(H,199,262)(H,200,252)(H,201,258)(H,202,265)(H,203,239)(H,204,245)(H,205,243)(H,206,259)(H,207,244)(H,208,266)(H,209,240)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,269)(H,218,268)(H,219,236)(H,220,263)(H,221,270)(H,222,250)(H,223,256)(H,224,264)(H,237,238)(H,272,273)(H4,175,176,186)(H4,177,178,187)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t83-,84-,85-,86+,87+,88+,89+,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-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.0380 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115606
(CHEMBL3609248)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cccc3ccccc13)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](Cc4cccc5ccccc45)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](CC(C)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 |r| Show InChI InChI=1S/C188H286N54O46S7/c1-12-98(5)145-178(281)224-130(82-110-48-33-46-108-44-21-23-50-114(108)110)168(271)240-150(103(10)250)182(285)238-146(99(6)13-2)183(286)242-75-38-59-142(242)177(280)218-118(54-26-30-69-191)157(260)227-133(87-244)169(272)213-122(58-37-74-207-188(201)202)158(261)231-140-94-293-292-92-138-174(277)215-120(56-35-72-205-186(197)198)153(256)211-119(55-27-31-70-192)161(264)239-149(102(9)249)181(284)234-136(152(255)208-85-144(253)236-147(100(7)247)179(282)235-141(184(287)288)95-295-294-93-139(175(278)237-145)233-172(275)132(86-243)226-151(254)115(193)51-34-71-204-185(195)196)90-290-291-91-137(230-159(262)123(64-65-143(194)252)216-164(267)126(78-104-39-16-14-17-40-104)221-166(269)129(225-180(283)148(101(8)248)241-176(140)279)81-109-47-32-45-107-43-20-22-49-113(107)109)173(276)214-117(53-25-29-68-190)155(258)223-131(83-111-84-203-96-209-111)167(270)229-134(88-245)170(273)217-124(66-76-289-11)160(263)210-116(52-24-28-67-189)154(257)220-128(80-106-60-62-112(251)63-61-106)163(266)212-121(57-36-73-206-187(199)200)156(259)219-125(77-97(3)4)162(265)228-135(89-246)171(274)222-127(165(268)232-138)79-105-41-18-15-19-42-105/h14-23,32-33,39-50,60-63,84,96-103,115-142,145-150,243-251H,12-13,24-31,34-38,51-59,64-83,85-95,189-193H2,1-11H3,(H2,194,252)(H,203,209)(H,208,255)(H,210,263)(H,211,256)(H,212,266)(H,213,272)(H,214,276)(H,215,277)(H,216,267)(H,217,273)(H,218,280)(H,219,259)(H,220,257)(H,221,269)(H,222,274)(H,223,258)(H,224,281)(H,225,283)(H,226,254)(H,227,260)(H,228,265)(H,229,270)(H,230,262)(H,231,261)(H,232,268)(H,233,275)(H,234,284)(H,235,282)(H,236,253)(H,237,278)(H,238,285)(H,239,264)(H,240,271)(H,241,279)(H,287,288)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t98-,99-,100+,101+,102+,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,145-,146-,147-,148-,149-,150-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115771
(CHEMBL3609093)Show 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](CC(C)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 |r| Show InChI InChI=1S/C169H274N54O48S7/c1-13-84(5)126-159(264)206-111(69-125(235)236)149(254)221-131(90(11)231)163(268)219-127(85(6)14-2)164(269)223-62-33-46-122(223)158(263)200-99(41-23-27-56-172)139(244)208-113(73-225)150(255)195-103(45-32-61-188-169(182)183)140(245)212-120-80-276-275-78-118-155(260)197-101(43-30-59-186-167(178)179)135(240)193-100(42-24-28-57-173)143(248)220-130(89(10)230)162(267)215-116(134(239)189-71-124(234)217-128(87(8)228)161(266)216-121(165(270)271)81-278-277-79-119(156(261)218-126)214-153(258)112(72-224)207-133(238)96(174)38-29-58-185-166(176)177)76-273-274-77-117(211-141(246)104(51-52-123(175)233)198-145(250)107(65-91-34-17-15-18-35-91)201-132(237)86(7)191-160(265)129(88(9)229)222-157(120)262)154(259)196-98(40-22-26-55-171)137(242)205-110(68-94-70-184-82-190-94)148(253)210-114(74-226)151(256)199-105(53-63-272-12)142(247)192-97(39-21-25-54-170)136(241)203-109(67-93-47-49-95(232)50-48-93)146(251)194-102(44-31-60-187-168(180)181)138(243)202-106(64-83(3)4)144(249)209-115(75-227)152(257)204-108(147(252)213-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-131,224-232H,13-14,21-33,38-46,51-69,71-81,170-174H2,1-12H3,(H2,175,233)(H,184,190)(H,189,239)(H,191,265)(H,192,247)(H,193,240)(H,194,251)(H,195,255)(H,196,259)(H,197,260)(H,198,250)(H,199,256)(H,200,263)(H,201,237)(H,202,243)(H,203,241)(H,204,257)(H,205,242)(H,206,264)(H,207,238)(H,208,244)(H,209,249)(H,210,253)(H,211,246)(H,212,245)(H,213,252)(H,214,258)(H,215,267)(H,216,266)(H,217,234)(H,218,261)(H,219,268)(H,220,248)(H,221,254)(H,222,262)(H,235,236)(H,270,271)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by automated patchXpress planar patch clamp ... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115676
(CHEMBL3609265)Show 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](CC(C)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](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C171H276N54O49S7/c1-13-85(5)128-161(267)209-113(71-127(238)239)152(258)223-133(91(11)232)165(271)221-129(86(6)14-2)166(272)225-64-33-46-123(225)160(266)203-100(41-23-27-58-174)141(247)210-114(74-226)153(259)198-104(45-32-63-190-171(184)185)142(248)214-121-81-279-278-79-119-157(263)200-102(43-30-61-188-169(180)181)137(243)196-101(42-24-28-59-175)146(252)222-132(90(10)231)164(270)217-117(136(242)191-73-125(235)219-130(88(8)229)163(269)218-122(167(273)274)82-281-280-80-120(158(264)220-128)215-144(250)106(52-54-126(236)237)194-135(241)97(176)38-29-60-187-168(178)179)77-276-277-78-118(213-143(249)105(51-53-124(177)234)201-148(254)109(67-92-34-17-15-18-35-92)204-134(240)87(7)193-162(268)131(89(9)230)224-159(121)265)156(262)199-99(40-22-26-57-173)139(245)208-112(70-95-72-186-83-192-95)151(257)212-115(75-227)154(260)202-107(55-65-275-12)145(251)195-98(39-21-25-56-172)138(244)206-111(69-94-47-49-96(233)50-48-94)149(255)197-103(44-31-62-189-170(182)183)140(246)205-108(66-84(3)4)147(253)211-116(76-228)155(261)207-110(150(256)216-119)68-93-36-19-16-20-37-93/h15-20,34-37,47-50,72,83-91,97-123,128-133,226-233H,13-14,21-33,38-46,51-71,73-82,172-176H2,1-12H3,(H2,177,234)(H,186,192)(H,191,242)(H,193,268)(H,194,241)(H,195,251)(H,196,243)(H,197,255)(H,198,259)(H,199,262)(H,200,263)(H,201,254)(H,202,260)(H,203,266)(H,204,240)(H,205,246)(H,206,244)(H,207,261)(H,208,245)(H,209,267)(H,210,247)(H,211,253)(H,212,257)(H,213,249)(H,214,248)(H,215,250)(H,216,256)(H,217,270)(H,218,269)(H,219,235)(H,220,264)(H,221,271)(H,222,252)(H,223,258)(H,224,265)(H,236,237)(H,238,239)(H,273,274)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115593
(CHEMBL3609236)Show 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](CC(C)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)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 |r| Show InChI InChI=1S/C168H272N54O47S7/c1-13-84(5)126-159(263)206-111(69-125(233)234)149(253)220-130(90(11)229)162(266)219-127(85(6)14-2)163(267)222-62-33-46-122(222)158(262)200-100(42-24-28-57-172)140(244)208-113(73-224)150(254)195-103(45-32-61-187-168(181)182)141(245)213-120-80-274-273-78-118-155(259)197-101(43-30-59-185-166(177)178)136(240)192-97(39-21-25-54-169)135(239)190-86(7)132(236)211-116(134(238)188-71-124(232)217-128(88(9)227)161(265)216-121(164(268)269)81-276-275-79-119(156(260)218-126)215-153(257)112(72-223)207-133(237)96(173)38-29-58-184-165(175)176)76-271-272-77-117(212-142(246)104(51-52-123(174)231)198-145(249)107(65-91-34-17-15-18-35-91)201-131(235)87(8)191-160(264)129(89(10)228)221-157(120)261)154(258)196-99(41-23-27-56-171)138(242)205-110(68-94-70-183-82-189-94)148(252)210-114(74-225)151(255)199-105(53-63-270-12)143(247)193-98(40-22-26-55-170)137(241)203-109(67-93-47-49-95(230)50-48-93)146(250)194-102(44-31-60-186-167(179)180)139(243)202-106(64-83(3)4)144(248)209-115(75-226)152(256)204-108(147(251)214-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-130,223-230H,13-14,21-33,38-46,51-69,71-81,169-173H2,1-12H3,(H2,174,231)(H,183,189)(H,188,238)(H,190,239)(H,191,264)(H,192,240)(H,193,247)(H,194,250)(H,195,254)(H,196,258)(H,197,259)(H,198,249)(H,199,255)(H,200,262)(H,201,235)(H,202,243)(H,203,241)(H,204,256)(H,205,242)(H,206,263)(H,207,237)(H,208,244)(H,209,248)(H,210,252)(H,211,236)(H,212,246)(H,213,245)(H,214,251)(H,215,257)(H,216,265)(H,217,232)(H,218,260)(H,219,266)(H,220,253)(H,221,261)(H,233,234)(H,268,269)(H4,175,176,184)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t84-,85-,86-,87-,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115807
(CHEMBL3609058)Show 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](CC(C)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](CCCNC(N)=N)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 |r| Show InChI InChI=1S/C169H274N56O48S7/c1-13-83(5)125-158(266)208-110(68-124(237)238)148(256)223-130(89(11)233)162(270)221-126(84(6)14-2)163(271)225-61-32-45-121(225)157(265)202-98(40-23-26-55-172)138(246)210-112(72-227)149(257)197-101(43-30-59-189-168(181)182)139(247)214-119-79-278-277-77-117-154(262)199-99(41-28-57-187-166(177)178)134(242)195-102(44-31-60-190-169(183)184)142(250)222-129(88(10)232)161(269)217-115(133(241)191-70-123(236)219-127(86(8)230)160(268)218-120(164(272)273)80-280-279-78-118(155(263)220-125)216-152(260)111(71-226)209-132(240)95(173)37-27-56-186-165(175)176)75-275-276-76-116(213-140(248)103(50-51-122(174)235)200-144(252)106(64-90-33-17-15-18-34-90)203-131(239)85(7)193-159(267)128(87(9)231)224-156(119)264)153(261)198-97(39-22-25-54-171)136(244)207-109(67-93-69-185-81-192-93)147(255)212-113(73-228)150(258)201-104(52-62-274-12)141(249)194-96(38-21-24-53-170)135(243)205-108(66-92-46-48-94(234)49-47-92)145(253)196-100(42-29-58-188-167(179)180)137(245)204-105(63-82(3)4)143(251)211-114(74-229)151(259)206-107(146(254)215-117)65-91-35-19-16-20-36-91/h15-20,33-36,46-49,69,81-89,95-121,125-130,226-234H,13-14,21-32,37-45,50-68,70-80,170-173H2,1-12H3,(H2,174,235)(H,185,192)(H,191,241)(H,193,267)(H,194,249)(H,195,242)(H,196,253)(H,197,257)(H,198,261)(H,199,262)(H,200,252)(H,201,258)(H,202,265)(H,203,239)(H,204,245)(H,205,243)(H,206,259)(H,207,244)(H,208,266)(H,209,240)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,269)(H,218,268)(H,219,236)(H,220,263)(H,221,270)(H,222,250)(H,223,256)(H,224,264)(H,237,238)(H,272,273)(H4,175,176,186)(H4,177,178,187)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t83-,84-,85-,86+,87+,88+,89+,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-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115767
(CHEMBL3609089)Show 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](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)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 |r| Show InChI InChI=1S/C170H276N54O48S6/c1-13-16-41-98-136(241)193-99(42-23-27-56-171)138(243)204-110(68-94-50-52-96(233)53-51-94)147(252)195-104(47-33-62-188-169(181)182)140(245)203-107(65-84(4)5)145(250)210-116(76-228)153(258)205-109(67-93-38-21-18-22-39-93)148(253)214-119-79-275-276-81-121-158(263)223-130(89(10)230)161(266)192-87(8)133(238)202-108(66-92-36-19-17-20-37-92)146(251)200-106(54-55-124(176)234)143(248)212-118(155(260)198-100(43-24-28-57-172)139(244)206-111(69-95-71-185-83-191-95)149(254)211-115(75-227)152(257)196-98)78-274-273-77-117(216-163(268)131(90(11)231)221-144(249)102(45-26-30-59-174)194-137(242)103(199-156(119)261)46-32-61-187-168(179)180)135(240)190-72-125(235)218-129(88(9)229)162(267)217-122(166(271)272)82-278-277-80-120(215-154(259)113(73-225)208-134(239)97(175)40-31-60-186-167(177)178)157(262)219-127(85(6)14-2)160(265)207-112(70-126(236)237)150(255)222-132(91(12)232)164(269)220-128(86(7)15-3)165(270)224-64-35-49-123(224)159(264)201-101(44-25-29-58-173)141(246)209-114(74-226)151(256)197-105(142(247)213-121)48-34-63-189-170(183)184/h17-22,36-39,50-53,71,83-91,97-123,127-132,225-233H,13-16,23-35,40-49,54-70,72-82,171-175H2,1-12H3,(H2,176,234)(H,185,191)(H,190,240)(H,192,266)(H,193,241)(H,194,242)(H,195,252)(H,196,257)(H,197,256)(H,198,260)(H,199,261)(H,200,251)(H,201,264)(H,202,238)(H,203,245)(H,204,243)(H,205,258)(H,206,244)(H,207,265)(H,208,239)(H,209,246)(H,210,250)(H,211,254)(H,212,248)(H,213,247)(H,214,253)(H,215,259)(H,216,268)(H,217,267)(H,218,235)(H,219,262)(H,220,269)(H,221,249)(H,222,255)(H,223,263)(H,236,237)(H,271,272)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-,132-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115708
(CHEMBL3609081)Show 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](CC(C)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](CCCCN)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 |r| Show InChI InChI=1S/C169H274N52O48S7/c1-13-85(5)127-160(262)204-112(70-126(233)234)150(252)219-132(91(11)229)164(266)217-128(86(6)14-2)165(267)221-63-34-47-123(221)159(261)198-101(43-24-29-58-173)140(242)206-114(74-223)151(253)193-104(46-33-62-186-169(181)182)141(243)210-121-81-274-273-79-119-156(258)194-98(40-21-26-55-170)136(238)191-102(44-25-30-59-174)144(246)218-131(90(10)228)163(265)213-117(135(237)187-72-125(232)215-129(88(8)226)162(264)214-122(166(268)269)82-276-275-80-120(157(259)216-127)212-154(256)113(73-222)205-134(236)97(175)39-31-60-184-167(177)178)77-271-272-78-118(209-142(244)105(52-53-124(176)231)196-146(248)108(66-92-35-17-15-18-36-92)199-133(235)87(7)189-161(263)130(89(9)227)220-158(121)260)155(257)195-100(42-23-28-57-172)138(240)203-111(69-95-71-183-83-188-95)149(251)208-115(75-224)152(254)197-106(54-64-270-12)143(245)190-99(41-22-27-56-171)137(239)201-110(68-94-48-50-96(230)51-49-94)147(249)192-103(45-32-61-185-168(179)180)139(241)200-107(65-84(3)4)145(247)207-116(76-225)153(255)202-109(148(250)211-119)67-93-37-19-16-20-38-93/h15-20,35-38,48-51,71,83-91,97-123,127-132,222-230H,13-14,21-34,39-47,52-70,72-82,170-175H2,1-12H3,(H2,176,231)(H,183,188)(H,187,237)(H,189,263)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,258)(H,195,257)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,241)(H,201,239)(H,202,255)(H,203,240)(H,204,262)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-,132-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115503
(CHEMBL3609222)Show 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](C)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](CC(C)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 |r| Show InChI InChI=1S/C163H270N54O48S7/c1-14-79(5)120-153(258)200-105(64-119(229)230)143(248)215-125(86(12)225)157(262)213-121(80(6)15-2)158(263)217-58-31-42-116(217)152(257)195-94(37-21-25-52-166)134(239)202-107(68-219)144(249)191-98(41-30-57-182-163(176)177)135(240)206-114-75-270-269-73-112-149(254)193-96(39-28-55-180-161(172)173)130(235)189-95(38-22-26-53-167)138(243)214-124(85(11)224)156(261)209-110(129(234)183-66-118(228)211-122(83(9)222)155(260)210-115(159(264)265)76-272-271-74-113(150(255)212-120)208-147(252)106(67-218)201-128(233)91(168)34-27-54-179-160(170)171)71-267-268-72-111(205-136(241)99(47-48-117(169)227)187-127(232)82(8)185-126(231)81(7)186-154(259)123(84(10)223)216-151(114)256)148(253)192-93(36-20-24-51-165)132(237)199-104(63-89-65-178-77-184-89)142(247)204-108(69-220)145(250)194-100(49-59-266-13)137(242)188-92(35-19-23-50-164)131(236)197-103(62-88-43-45-90(226)46-44-88)140(245)190-97(40-29-56-181-162(174)175)133(238)196-101(60-78(3)4)139(244)203-109(70-221)146(251)198-102(141(246)207-112)61-87-32-17-16-18-33-87/h16-18,32-33,43-46,65,77-86,91-116,120-125,218-226H,14-15,19-31,34-42,47-64,66-76,164-168H2,1-13H3,(H2,169,227)(H,178,184)(H,183,234)(H,185,231)(H,186,259)(H,187,232)(H,188,242)(H,189,235)(H,190,245)(H,191,249)(H,192,253)(H,193,254)(H,194,250)(H,195,257)(H,196,238)(H,197,236)(H,198,251)(H,199,237)(H,200,258)(H,201,233)(H,202,239)(H,203,244)(H,204,247)(H,205,241)(H,206,240)(H,207,246)(H,208,252)(H,209,261)(H,210,260)(H,211,228)(H,212,255)(H,213,262)(H,214,243)(H,215,248)(H,216,256)(H,229,230)(H,264,265)(H4,170,171,179)(H4,172,173,180)(H4,174,175,181)(H4,176,177,182)/t79-,80-,81-,82-,83+,84+,85+,86+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,120-,121-,122-,123-,124-,125-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115637
(CHEMBL3609074)Show 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](CC(C)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](CCCCN)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 |r| Show InChI InChI=1S/C169H279N53O48S7/c1-13-85(5)126-159(263)205-111(72-125(234)235)149(253)220-131(91(11)230)163(267)218-127(86(6)14-2)164(268)222-66-35-49-122(222)158(262)200-100(44-24-29-60-173)140(244)208-113(75-224)150(254)195-104(48-34-65-188-169(183)184)141(245)211-120-82-275-274-80-118-155(259)197-102(46-32-63-186-167(179)180)136(240)193-101(45-25-30-61-174)144(248)219-130(90(10)229)162(266)214-116(134(238)189-73-124(233)216-128(88(8)227)161(265)215-121(165(269)270)83-277-276-81-119(156(260)217-126)213-153(257)112(74-223)206-133(237)96(175)40-31-62-185-166(177)178)78-272-273-79-117(210-142(246)105(54-55-123(176)232)198-146(250)108(69-92-36-17-15-18-37-92)201-132(236)87(7)190-160(264)129(89(9)228)221-157(120)261)154(258)196-97(41-21-26-57-170)135(239)191-99(43-23-28-59-172)139(243)207-114(76-225)151(255)199-106(56-67-271-12)143(247)192-98(42-22-27-58-171)137(241)203-110(71-94-50-52-95(231)53-51-94)147(251)194-103(47-33-64-187-168(181)182)138(242)202-107(68-84(3)4)145(249)209-115(77-226)152(256)204-109(148(252)212-118)70-93-38-19-16-20-39-93/h15-20,36-39,50-53,84-91,96-122,126-131,223-231H,13-14,21-35,40-49,54-83,170-175H2,1-12H3,(H2,176,232)(H,189,238)(H,190,264)(H,191,239)(H,192,247)(H,193,240)(H,194,251)(H,195,254)(H,196,258)(H,197,259)(H,198,250)(H,199,255)(H,200,262)(H,201,236)(H,202,242)(H,203,241)(H,204,256)(H,205,263)(H,206,237)(H,207,243)(H,208,244)(H,209,249)(H,210,246)(H,211,245)(H,212,252)(H,213,257)(H,214,266)(H,215,265)(H,216,233)(H,217,260)(H,218,267)(H,219,248)(H,220,253)(H,221,261)(H,234,235)(H,269,270)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)(H4,183,184,188)/t85-,86-,87-,88+,89+,90+,91+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115494
(CHEMBL3608993)Show 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](CC(C)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](C)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C169H274N54O47S7/c1-14-84(5)126-159(263)207-112(70-125(234)235)150(254)221-131(91(12)230)163(267)219-127(85(6)15-2)164(268)223-63-34-47-122(223)158(262)201-100(42-24-28-57-172)140(244)208-113(73-224)151(255)196-104(46-33-62-188-169(182)183)141(245)213-120-80-275-274-78-118-155(259)198-102(44-31-60-186-167(178)179)136(240)194-101(43-25-29-58-173)144(248)220-130(90(11)229)162(266)215-116(135(239)189-72-124(233)217-128(88(9)227)161(265)216-121(165(269)270)81-277-276-79-119(156(260)218-126)211-133(237)86(7)191-134(238)97(174)39-30-59-185-166(176)177)76-272-273-77-117(212-142(246)105(52-53-123(175)232)199-146(250)108(66-92-35-18-16-19-36-92)202-132(236)87(8)192-160(264)129(89(10)228)222-157(120)261)154(258)197-99(41-23-27-56-171)138(242)206-111(69-95-71-184-82-190-95)149(253)210-114(74-225)152(256)200-106(54-64-271-13)143(247)193-98(40-22-26-55-170)137(241)204-110(68-94-48-50-96(231)51-49-94)147(251)195-103(45-32-61-187-168(180)181)139(243)203-107(65-83(3)4)145(249)209-115(75-226)153(257)205-109(148(252)214-118)67-93-37-20-17-21-38-93/h16-21,35-38,48-51,71,82-91,97-122,126-131,224-231H,14-15,22-34,39-47,52-70,72-81,170-174H2,1-13H3,(H2,175,232)(H,184,190)(H,189,239)(H,191,238)(H,192,264)(H,193,247)(H,194,240)(H,195,251)(H,196,255)(H,197,258)(H,198,259)(H,199,250)(H,200,256)(H,201,262)(H,202,236)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,263)(H,208,244)(H,209,249)(H,210,253)(H,211,237)(H,212,246)(H,213,245)(H,214,252)(H,215,266)(H,216,265)(H,217,233)(H,218,260)(H,219,267)(H,220,248)(H,221,254)(H,222,261)(H,234,235)(H,269,270)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115700
(CHEMBL3609033)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C168H269N53O50S7/c1-13-82(5)125-158(264)204-109(67-124(235)236)148(254)219-130(88(11)229)162(268)217-126(83(6)14-2)163(269)221-60-31-43-120(221)157(263)198-97(39-23-26-55-171)138(244)206-111(71-223)149(255)192-100(42-30-59-186-168(180)181)139(245)210-118-78-276-275-76-116-154(260)194-98(40-28-57-184-166(176)177)134(240)195-102(49-51-123(233)234)142(248)218-129(87(10)228)161(267)213-114(133(239)187-69-122(232)215-127(85(8)226)160(266)214-119(164(270)271)79-278-277-77-117(155(261)216-125)212-152(258)110(70-222)205-132(238)94(172)36-27-56-183-165(174)175)74-273-274-75-115(209-140(246)101(48-50-121(173)231)196-144(250)105(63-89-32-17-15-18-33-89)199-131(237)84(7)189-159(265)128(86(9)227)220-156(118)262)153(259)193-96(38-22-25-54-170)136(242)203-108(66-92-68-182-80-188-92)147(253)208-112(72-224)150(256)197-103(52-61-272-12)141(247)190-95(37-21-24-53-169)135(241)201-107(65-91-44-46-93(230)47-45-91)145(251)191-99(41-29-58-185-167(178)179)137(243)200-104(62-81(3)4)143(249)207-113(73-225)151(257)202-106(146(252)211-116)64-90-34-19-16-20-35-90/h15-20,32-35,44-47,68,80-88,94-120,125-130,222-230H,13-14,21-31,36-43,48-67,69-79,169-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,239)(H,189,265)(H,190,247)(H,191,251)(H,192,255)(H,193,259)(H,194,260)(H,195,240)(H,196,250)(H,197,256)(H,198,263)(H,199,237)(H,200,243)(H,201,241)(H,202,257)(H,203,242)(H,204,264)(H,205,238)(H,206,244)(H,207,249)(H,208,253)(H,209,246)(H,210,245)(H,211,252)(H,212,258)(H,213,267)(H,214,266)(H,215,232)(H,216,261)(H,217,268)(H,218,248)(H,219,254)(H,220,262)(H,233,234)(H,235,236)(H,270,271)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,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-,120-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0430 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115568
(CHEMBL3609230)Show 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](CC(C)C)NC(=O)[C@H](C)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 |r| Show InChI InChI=1S/C166H267N51O48S7/c1-14-82(5)124-157(258)200-109(67-123(229)230)147(248)215-129(89(12)225)161(262)213-125(83(6)15-2)162(263)217-60-33-45-120(217)156(257)194-98(41-24-28-55-169)137(238)202-111(71-219)148(249)189-101(44-32-59-182-166(177)178)138(239)206-118-78-270-269-76-116-153(254)191-100(43-31-58-181-165(175)176)134(235)188-99(42-25-29-56-170)141(242)214-128(88(11)224)160(261)209-114(133(234)183-69-122(228)211-126(86(9)222)159(260)210-119(163(264)265)79-272-271-77-117(154(255)212-124)208-151(252)110(70-218)201-132(233)95(171)38-30-57-180-164(173)174)74-267-268-75-115(205-139(240)102(50-51-121(172)227)192-144(245)106(63-90-34-18-16-19-35-90)196-131(232)85(8)186-158(259)127(87(10)223)216-155(118)256)152(253)190-97(40-23-27-54-168)136(237)199-108(66-93-68-179-80-184-93)146(247)204-112(72-220)149(250)193-103(52-61-266-13)140(241)187-96(39-22-26-53-167)135(236)197-105(65-92-46-48-94(226)49-47-92)142(243)185-84(7)130(231)195-104(62-81(3)4)143(244)203-113(73-221)150(251)198-107(145(246)207-116)64-91-36-20-17-21-37-91/h16-21,34-37,46-49,68,80-89,95-120,124-129,218-226H,14-15,22-33,38-45,50-67,69-79,167-171H2,1-13H3,(H2,172,227)(H,179,184)(H,183,234)(H,185,243)(H,186,259)(H,187,241)(H,188,235)(H,189,249)(H,190,253)(H,191,254)(H,192,245)(H,193,250)(H,194,257)(H,195,231)(H,196,232)(H,197,236)(H,198,251)(H,199,237)(H,200,258)(H,201,233)(H,202,238)(H,203,244)(H,204,247)(H,205,240)(H,206,239)(H,207,246)(H,208,252)(H,209,261)(H,210,260)(H,211,228)(H,212,255)(H,213,262)(H,214,242)(H,215,248)(H,216,256)(H,229,230)(H,264,265)(H4,173,174,180)(H4,175,176,181)(H4,177,178,182)/t82-,83-,84-,85-,86+,87+,88+,89+,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-,120-,124-,125-,126-,127-,128-,129-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115499
(CHEMBL3608998)Show 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](CC(C)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](C)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 |r| Show InChI InChI=1S/C166H267N53O48S7/c1-14-81(5)123-156(260)202-108(66-122(231)232)146(250)217-128(88(12)227)160(264)215-124(82(6)15-2)161(265)219-59-32-44-119(219)155(259)187-83(7)130(234)203-109(69-220)147(251)192-100(43-31-58-184-166(178)179)137(241)208-117-77-272-271-75-115-152(256)194-98(41-29-56-182-164(174)175)133(237)190-97(40-24-27-54-169)140(244)216-127(87(11)226)159(263)211-113(132(236)185-68-121(230)213-125(85(9)224)158(262)212-118(162(266)267)78-274-273-76-116(153(257)214-123)210-150(254)110(70-221)204-131(235)94(170)37-28-55-181-163(172)173)73-269-270-74-114(207-138(242)101(49-50-120(171)229)195-142(246)104(62-89-33-18-16-19-34-89)197-129(233)84(8)188-157(261)126(86(10)225)218-154(117)258)151(255)193-96(39-23-26-53-168)135(239)201-107(65-92-67-180-79-186-92)145(249)206-111(71-222)148(252)196-102(51-60-268-13)139(243)189-95(38-22-25-52-167)134(238)199-106(64-91-45-47-93(228)48-46-91)143(247)191-99(42-30-57-183-165(176)177)136(240)198-103(61-80(3)4)141(245)205-112(72-223)149(253)200-105(144(248)209-115)63-90-35-20-17-21-36-90/h16-21,33-36,45-48,67,79-88,94-119,123-128,220-228H,14-15,22-32,37-44,49-66,68-78,167-170H2,1-13H3,(H2,171,229)(H,180,186)(H,185,236)(H,187,259)(H,188,261)(H,189,243)(H,190,237)(H,191,247)(H,192,251)(H,193,255)(H,194,256)(H,195,246)(H,196,252)(H,197,233)(H,198,240)(H,199,238)(H,200,253)(H,201,239)(H,202,260)(H,203,234)(H,204,235)(H,205,245)(H,206,249)(H,207,242)(H,208,241)(H,209,248)(H,210,254)(H,211,263)(H,212,262)(H,213,230)(H,214,257)(H,215,264)(H,216,244)(H,217,250)(H,218,258)(H,231,232)(H,266,267)(H4,172,173,181)(H4,174,175,182)(H4,176,177,183)(H4,178,179,184)/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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115704
(CHEMBL3609077)Show 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](CC(C)C)NC(=O)[C@H](CCCCN)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 |r| Show InChI InChI=1S/C169H274N52O48S7/c1-13-85(5)127-160(262)204-112(70-126(233)234)150(252)219-132(91(11)229)164(266)217-128(86(6)14-2)165(267)221-63-34-47-123(221)159(261)198-101(43-24-29-58-173)140(242)206-114(74-223)151(253)193-104(46-33-62-186-169(181)182)141(243)210-121-81-274-273-79-119-156(258)195-103(45-32-61-185-168(179)180)136(238)191-102(44-25-30-59-174)144(246)218-131(90(10)228)163(265)213-117(135(237)187-72-125(232)215-129(88(8)226)162(264)214-122(166(268)269)82-276-275-80-120(157(259)216-127)212-154(256)113(73-222)205-134(236)97(175)39-31-60-184-167(177)178)77-271-272-78-118(209-142(244)105(52-53-124(176)231)196-146(248)108(66-92-35-17-15-18-36-92)199-133(235)87(7)189-161(263)130(89(9)227)220-158(121)260)155(257)194-100(42-23-28-57-172)139(241)203-111(69-95-71-183-83-188-95)149(251)208-115(75-224)152(254)197-106(54-64-270-12)143(245)190-98(40-21-26-55-170)138(240)201-110(68-94-48-50-96(230)51-49-94)147(249)192-99(41-22-27-56-171)137(239)200-107(65-84(3)4)145(247)207-116(76-225)153(255)202-109(148(250)211-119)67-93-37-19-16-20-38-93/h15-20,35-38,48-51,71,83-91,97-123,127-132,222-230H,13-14,21-34,39-47,52-70,72-82,170-175H2,1-12H3,(H2,176,231)(H,183,188)(H,187,237)(H,189,263)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,257)(H,195,258)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,239)(H,201,240)(H,202,255)(H,203,241)(H,204,262)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-,132-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115773
(CHEMBL3609095)Show 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](CC(C)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](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C184H295N56O56PS7/c1-13-94(5)140-174(283)223-124(78-139(253)254)164(273)238-145(100(11)248)178(287)236-141(95(6)14-2)179(288)240-67-33-46-135(240)173(282)217-112(40-23-27-60-187)154(263)225-125(81-241)165(274)212-116(45-32-65-204-184(197)198)155(264)229-133-90-302-301-88-131-170(279)214-114(43-30-63-202-182(193)194)150(259)210-113(41-24-28-61-188)158(267)237-144(99(10)247)177(286)232-129(148(257)205-80-137(251)234-142(97(8)245)176(285)233-134(180(289)290)91-304-303-89-132(171(280)235-140)231-168(277)128(84-244)224-149(258)109(42-29-62-201-181(191)192)208-138(252)85-295-70-69-294-68-66-200-147(256)108(189)73-103-49-53-107(54-50-103)296-297(291,292)293)86-299-300-87-130(228-156(265)117(55-56-136(190)250)215-160(269)120(74-101-34-17-15-18-35-101)218-146(255)96(7)207-175(284)143(98(9)246)239-172(133)281)169(278)213-111(39-22-26-59-186)152(261)222-123(77-105-79-199-92-206-105)163(272)227-126(82-242)166(275)216-118(57-71-298-12)157(266)209-110(38-21-25-58-185)151(260)220-122(76-104-47-51-106(249)52-48-104)161(270)211-115(44-31-64-203-183(195)196)153(262)219-119(72-93(3)4)159(268)226-127(83-243)167(276)221-121(162(271)230-131)75-102-36-19-16-20-37-102/h15-20,34-37,47-54,79,92-100,108-135,140-145,241-249H,13-14,21-33,38-46,55-78,80-91,185-189H2,1-12H3,(H2,190,250)(H,199,206)(H,200,256)(H,205,257)(H,207,284)(H,208,252)(H,209,266)(H,210,259)(H,211,270)(H,212,274)(H,213,278)(H,214,279)(H,215,269)(H,216,275)(H,217,282)(H,218,255)(H,219,262)(H,220,260)(H,221,276)(H,222,261)(H,223,283)(H,224,258)(H,225,263)(H,226,268)(H,227,272)(H,228,265)(H,229,264)(H,230,271)(H,231,277)(H,232,286)(H,233,285)(H,234,251)(H,235,280)(H,236,287)(H,237,267)(H,238,273)(H,239,281)(H,253,254)(H,289,290)(H4,191,192,201)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H2,291,292,293)/t94-,95-,96-,97+,98+,99+,100+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,140-,141-,142-,143-,144-,145-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115495
(CHEMBL3608994)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)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](CC(C)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)O)[C@@H](C)CC |r| Show InChI InChI=1S/C166H268N54O48S7/c1-12-82(4)124-161(266)220-60-31-44-120(220)156(261)198-97(39-21-25-54-169)137(242)206-111(71-222)148(253)193-101(43-30-59-185-166(179)180)138(243)210-118-78-273-272-77-117-154(259)195-99(41-28-57-183-164(175)176)133(238)191-98(40-22-26-55-170)141(246)217-127(87(9)227)159(264)213-114(132(237)186-69-122(231)215-125(85(7)225)158(263)214-119(162(267)268)79-275-274-75-115(212-151(256)110(70-221)205-131(236)94(171)36-27-56-182-163(173)174)152(257)188-83(5)129(234)200-109(67-123(232)233)147(252)218-128(88(10)228)160(265)216-124)74-270-271-76-116(209-139(244)102(49-50-121(172)230)196-143(248)105(63-89-32-15-13-16-33-89)199-130(235)84(6)189-157(262)126(86(8)226)219-155(118)260)153(258)194-96(38-20-24-53-168)135(240)204-108(66-92-68-181-80-187-92)146(251)208-112(72-223)149(254)197-103(51-61-269-11)140(245)190-95(37-19-23-52-167)134(239)202-107(65-91-45-47-93(229)48-46-91)144(249)192-100(42-29-58-184-165(177)178)136(241)201-104(62-81(2)3)142(247)207-113(73-224)150(255)203-106(145(250)211-117)64-90-34-17-14-18-35-90/h13-18,32-35,45-48,68,80-88,94-120,124-128,221-229H,12,19-31,36-44,49-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,257)(H,189,262)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,258)(H,195,259)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,234)(H,201,241)(H,202,239)(H,203,255)(H,204,240)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,264)(H,214,263)(H,215,231)(H,216,265)(H,217,246)(H,218,252)(H,219,260)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t82-,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-,120-,124-,125-,126-,127-,128-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115689
(CHEMBL3609276)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C168H269N53O50S7/c1-13-82(5)125-158(264)204-109(67-124(235)236)148(254)219-130(88(11)229)162(268)217-126(83(6)14-2)163(269)221-60-31-43-120(221)157(263)198-96(38-22-25-54-170)137(243)206-111(71-223)149(255)193-100(42-30-59-186-168(180)181)138(244)210-118-78-276-275-76-116-153(259)194-98(40-28-57-184-166(176)177)134(240)191-97(39-23-26-55-171)142(248)218-129(87(10)228)161(267)213-114(133(239)187-69-122(232)215-127(85(8)226)160(266)214-119(164(270)271)79-278-277-77-117(155(261)216-125)212-152(258)110(70-222)205-132(238)94(172)36-27-56-183-165(174)175)74-273-274-75-115(209-140(246)101(48-50-121(173)231)195-144(250)105(63-89-32-17-15-18-33-89)199-131(237)84(7)189-159(265)128(86(9)227)220-156(118)262)154(260)196-102(49-51-123(233)234)139(245)203-108(66-92-68-182-80-188-92)147(253)208-112(72-224)150(256)197-103(52-61-272-12)141(247)190-95(37-21-24-53-169)135(241)201-107(65-91-44-46-93(230)47-45-91)145(251)192-99(41-29-58-185-167(178)179)136(242)200-104(62-81(3)4)143(249)207-113(73-225)151(257)202-106(146(252)211-116)64-90-34-19-16-20-35-90/h15-20,32-35,44-47,68,80-88,94-120,125-130,222-230H,13-14,21-31,36-43,48-67,69-79,169-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,239)(H,189,265)(H,190,247)(H,191,240)(H,192,251)(H,193,255)(H,194,259)(H,195,250)(H,196,260)(H,197,256)(H,198,263)(H,199,237)(H,200,242)(H,201,241)(H,202,257)(H,203,245)(H,204,264)(H,205,238)(H,206,243)(H,207,249)(H,208,253)(H,209,246)(H,210,244)(H,211,252)(H,212,258)(H,213,267)(H,214,266)(H,215,232)(H,216,261)(H,217,268)(H,218,248)(H,219,254)(H,220,262)(H,233,234)(H,235,236)(H,270,271)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,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-,120-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0470 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115505
(CHEMBL3609224)Show 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](CC(C)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](C)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 |r| Show InChI InChI=1S/C166H267N53O48S7/c1-14-81(5)123-156(260)202-108(66-122(231)232)146(250)217-128(88(12)227)160(264)215-124(82(6)15-2)161(265)219-59-32-44-119(219)155(259)196-96(39-23-26-53-168)136(240)204-110(70-221)147(251)192-100(43-31-58-184-166(178)179)137(241)208-117-77-272-271-75-115-152(256)193-98(41-29-56-182-164(174)175)133(237)190-97(40-24-27-54-169)140(244)216-127(87(11)226)159(263)211-113(132(236)185-68-121(230)213-125(85(9)224)158(262)212-118(162(266)267)78-274-273-76-116(153(257)214-123)210-150(254)109(69-220)203-131(235)94(170)37-28-55-181-163(172)173)73-269-270-74-114(207-138(242)101(49-50-120(171)229)194-142(246)104(62-89-33-18-16-19-34-89)197-130(234)84(8)188-157(261)126(86(10)225)218-154(117)258)151(255)187-83(7)129(233)198-107(65-92-67-180-79-186-92)145(249)206-111(71-222)148(252)195-102(51-60-268-13)139(243)189-95(38-22-25-52-167)134(238)200-106(64-91-45-47-93(228)48-46-91)143(247)191-99(42-30-57-183-165(176)177)135(239)199-103(61-80(3)4)141(245)205-112(72-223)149(253)201-105(144(248)209-115)63-90-35-20-17-21-36-90/h16-21,33-36,45-48,67,79-88,94-119,123-128,220-228H,14-15,22-32,37-44,49-66,68-78,167-170H2,1-13H3,(H2,171,229)(H,180,186)(H,185,236)(H,187,255)(H,188,261)(H,189,243)(H,190,237)(H,191,247)(H,192,251)(H,193,256)(H,194,246)(H,195,252)(H,196,259)(H,197,234)(H,198,233)(H,199,239)(H,200,238)(H,201,253)(H,202,260)(H,203,235)(H,204,240)(H,205,245)(H,206,249)(H,207,242)(H,208,241)(H,209,248)(H,210,254)(H,211,263)(H,212,262)(H,213,230)(H,214,257)(H,215,264)(H,216,244)(H,217,250)(H,218,258)(H,231,232)(H,266,267)(H4,172,173,181)(H4,174,175,182)(H4,176,177,183)(H4,178,179,184)/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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115771
(CHEMBL3609093)Show 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](CC(C)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 |r| Show InChI InChI=1S/C169H274N54O48S7/c1-13-84(5)126-159(264)206-111(69-125(235)236)149(254)221-131(90(11)231)163(268)219-127(85(6)14-2)164(269)223-62-33-46-122(223)158(263)200-99(41-23-27-56-172)139(244)208-113(73-225)150(255)195-103(45-32-61-188-169(182)183)140(245)212-120-80-276-275-78-118-155(260)197-101(43-30-59-186-167(178)179)135(240)193-100(42-24-28-57-173)143(248)220-130(89(10)230)162(267)215-116(134(239)189-71-124(234)217-128(87(8)228)161(266)216-121(165(270)271)81-278-277-79-119(156(261)218-126)214-153(258)112(72-224)207-133(238)96(174)38-29-58-185-166(176)177)76-273-274-77-117(211-141(246)104(51-52-123(175)233)198-145(250)107(65-91-34-17-15-18-35-91)201-132(237)86(7)191-160(265)129(88(9)229)222-157(120)262)154(259)196-98(40-22-26-55-171)137(242)205-110(68-94-70-184-82-190-94)148(253)210-114(74-226)151(256)199-105(53-63-272-12)142(247)192-97(39-21-25-54-170)136(241)203-109(67-93-47-49-95(232)50-48-93)146(251)194-102(44-31-60-187-168(180)181)138(243)202-106(64-83(3)4)144(249)209-115(75-227)152(257)204-108(147(252)213-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-131,224-232H,13-14,21-33,38-46,51-69,71-81,170-174H2,1-12H3,(H2,175,233)(H,184,190)(H,189,239)(H,191,265)(H,192,247)(H,193,240)(H,194,251)(H,195,255)(H,196,259)(H,197,260)(H,198,250)(H,199,256)(H,200,263)(H,201,237)(H,202,243)(H,203,241)(H,204,257)(H,205,242)(H,206,264)(H,207,238)(H,208,244)(H,209,249)(H,210,253)(H,211,246)(H,212,245)(H,213,252)(H,214,258)(H,215,267)(H,216,266)(H,217,234)(H,218,261)(H,219,268)(H,220,248)(H,221,254)(H,222,262)(H,235,236)(H,270,271)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0480 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115677
(CHEMBL3609266)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)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](CC(C)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)O)[C@@H](C)CC |r| Show InChI InChI=1S/C168H270N54O50S7/c1-11-83(4)126-163(270)222-61-30-43-121(222)158(265)200-97(38-20-24-55-171)138(245)208-112(72-224)150(257)194-101(42-29-60-187-168(181)182)139(246)212-119-79-277-276-77-117-155(262)196-99(40-27-58-185-166(177)178)134(241)192-98(39-21-25-56-172)143(250)219-129(87(8)229)161(268)215-115(133(240)188-70-123(233)217-127(85(6)227)160(267)216-120(164(271)272)80-279-278-78-118(214-153(260)111(71-223)207-132(239)94(173)35-26-57-184-165(175)176)156(263)198-103(49-51-124(234)235)140(247)206-110(68-125(236)237)149(256)220-130(88(9)230)162(269)218-126)75-274-275-76-116(211-141(248)102(48-50-122(174)232)197-145(252)106(64-89-31-14-12-15-32-89)201-131(238)84(5)190-159(266)128(86(7)228)221-157(119)264)154(261)195-96(37-19-23-54-170)136(243)205-109(67-92-69-183-81-189-92)148(255)210-113(73-225)151(258)199-104(52-62-273-10)142(249)191-95(36-18-22-53-169)135(242)203-108(66-91-44-46-93(231)47-45-91)146(253)193-100(41-28-59-186-167(179)180)137(244)202-105(63-82(2)3)144(251)209-114(74-226)152(259)204-107(147(254)213-117)65-90-33-16-13-17-34-90/h12-17,31-34,44-47,69,81-88,94-121,126-130,223-231H,11,18-30,35-43,48-68,70-80,169-173H2,1-10H3,(H2,174,232)(H,183,189)(H,188,240)(H,190,266)(H,191,249)(H,192,241)(H,193,253)(H,194,257)(H,195,261)(H,196,262)(H,197,252)(H,198,263)(H,199,258)(H,200,265)(H,201,238)(H,202,244)(H,203,242)(H,204,259)(H,205,243)(H,206,247)(H,207,239)(H,208,245)(H,209,251)(H,210,255)(H,211,248)(H,212,246)(H,213,254)(H,214,260)(H,215,268)(H,216,267)(H,217,233)(H,218,269)(H,219,250)(H,220,256)(H,221,264)(H,234,235)(H,236,237)(H,271,272)(H4,175,176,184)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t83-,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-,120-,121-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115631
(CHEMBL3609068)Show 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](CC(C)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](CCCCN)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 |r| Show InChI InChI=1S/C172H281N55O47S7/c1-13-87(5)129-162(267)211-115(73-128(238)239)153(258)225-134(93(11)234)166(271)223-130(88(6)14-2)167(272)227-66-35-49-125(227)161(266)205-103(44-24-29-60-176)139(244)196-100(41-21-26-57-173)138(243)199-107(48-34-65-192-172(186)187)144(249)216-123-83-279-278-81-121-158(263)202-105(46-32-63-190-170(182)183)140(245)198-104(45-25-30-61-177)147(252)224-133(92(10)233)165(270)219-119(137(242)193-75-127(237)221-131(90(8)231)164(269)220-124(168(273)274)84-281-280-82-122(159(264)222-129)218-156(261)116(76-228)212-136(241)99(178)40-31-62-189-169(180)181)79-276-277-80-120(215-145(250)108(54-55-126(179)236)203-149(254)111(69-94-36-17-15-18-37-94)206-135(240)89(7)195-163(268)132(91(9)232)226-160(123)265)157(262)201-102(43-23-28-59-175)142(247)210-114(72-97-74-188-85-194-97)152(257)214-117(77-229)154(259)204-109(56-67-275-12)146(251)197-101(42-22-27-58-174)141(246)208-113(71-96-50-52-98(235)53-51-96)150(255)200-106(47-33-64-191-171(184)185)143(248)207-110(68-86(3)4)148(253)213-118(78-230)155(260)209-112(151(256)217-121)70-95-38-19-16-20-39-95/h15-20,36-39,50-53,74,85-93,99-125,129-134,228-235H,13-14,21-35,40-49,54-73,75-84,173-178H2,1-12H3,(H2,179,236)(H,188,194)(H,193,242)(H,195,268)(H,196,244)(H,197,251)(H,198,245)(H,199,243)(H,200,255)(H,201,262)(H,202,263)(H,203,254)(H,204,259)(H,205,266)(H,206,240)(H,207,248)(H,208,246)(H,209,260)(H,210,247)(H,211,267)(H,212,241)(H,213,253)(H,214,257)(H,215,250)(H,216,249)(H,217,256)(H,218,261)(H,219,270)(H,220,269)(H,221,237)(H,222,264)(H,223,271)(H,224,252)(H,225,258)(H,226,265)(H,238,239)(H,273,274)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,129-,130-,131-,132-,133-,134-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115595
(CHEMBL3609238)Show 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](C)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](CC(C)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(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 |r| Show InChI InChI=1S/C168H272N54O47S7/c1-13-84(5)126-159(263)206-111(69-125(233)234)149(253)220-130(90(11)229)162(266)218-127(85(6)14-2)163(267)222-62-33-46-122(222)158(262)200-99(41-23-27-56-171)139(243)208-113(73-224)150(254)195-103(45-32-61-187-168(181)182)140(244)212-120-80-274-273-78-118-155(259)197-101(43-30-59-185-166(177)178)135(239)193-100(42-24-28-57-172)143(247)219-129(89(10)228)161(265)215-116(134(238)188-71-124(232)190-86(7)131(235)216-121(164(268)269)81-276-275-79-119(156(260)217-126)214-153(257)112(72-223)207-133(237)96(173)38-29-58-184-165(175)176)76-271-272-77-117(211-141(245)104(51-52-123(174)231)198-145(249)107(65-91-34-17-15-18-35-91)201-132(236)87(8)191-160(264)128(88(9)227)221-157(120)261)154(258)196-98(40-22-26-55-170)137(241)205-110(68-94-70-183-82-189-94)148(252)210-114(74-225)151(255)199-105(53-63-270-12)142(246)192-97(39-21-25-54-169)136(240)203-109(67-93-47-49-95(230)50-48-93)146(250)194-102(44-31-60-186-167(179)180)138(242)202-106(64-83(3)4)144(248)209-115(75-226)152(256)204-108(147(251)213-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-130,223-230H,13-14,21-33,38-46,51-69,71-81,169-173H2,1-12H3,(H2,174,231)(H,183,189)(H,188,238)(H,190,232)(H,191,264)(H,192,246)(H,193,239)(H,194,250)(H,195,254)(H,196,258)(H,197,259)(H,198,249)(H,199,255)(H,200,262)(H,201,236)(H,202,242)(H,203,240)(H,204,256)(H,205,241)(H,206,263)(H,207,237)(H,208,243)(H,209,248)(H,210,252)(H,211,245)(H,212,244)(H,213,251)(H,214,257)(H,215,265)(H,216,235)(H,217,260)(H,218,266)(H,219,247)(H,220,253)(H,221,261)(H,233,234)(H,268,269)(H4,175,176,184)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t84-,85-,86-,87-,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115816
(CHEMBL3609063)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)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](CC(C)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)O)[C@@H](C)CC |r| Show InChI InChI=1S/C169H275N55O48S7/c1-11-85(4)127-164(270)224-63-32-46-123(224)159(265)202-100(41-21-26-57-173)140(246)210-114(74-226)151(257)196-104(45-31-62-189-169(183)184)141(247)214-121-81-277-276-79-119-156(262)199-102(43-29-60-187-167(179)180)135(241)194-101(42-22-27-58-174)144(250)221-130(89(8)231)162(268)217-117(134(240)190-72-125(235)219-128(87(6)229)161(267)218-122(165(271)272)82-279-278-80-120(216-154(260)113(73-225)209-133(239)96(175)37-28-59-186-166(177)178)157(263)198-99(40-20-25-56-172)138(244)208-112(70-126(236)237)150(256)222-131(90(9)232)163(269)220-127)77-274-275-78-118(213-142(248)105(51-52-124(176)234)200-146(252)108(66-91-33-14-12-15-34-91)203-132(238)86(5)192-160(266)129(88(7)230)223-158(121)264)155(261)197-98(39-19-24-55-171)137(243)207-111(69-94-71-185-83-191-94)149(255)212-115(75-227)152(258)201-106(53-64-273-10)143(249)193-97(38-18-23-54-170)136(242)205-110(68-93-47-49-95(233)50-48-93)147(253)195-103(44-30-61-188-168(181)182)139(245)204-107(65-84(2)3)145(251)211-116(76-228)153(259)206-109(148(254)215-119)67-92-35-16-13-17-36-92/h12-17,33-36,47-50,71,83-90,96-123,127-131,225-233H,11,18-32,37-46,51-70,72-82,170-175H2,1-10H3,(H2,176,234)(H,185,191)(H,190,240)(H,192,266)(H,193,249)(H,194,241)(H,195,253)(H,196,257)(H,197,261)(H,198,263)(H,199,262)(H,200,252)(H,201,258)(H,202,265)(H,203,238)(H,204,245)(H,205,242)(H,206,259)(H,207,243)(H,208,244)(H,209,239)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,268)(H,218,267)(H,219,235)(H,220,269)(H,221,250)(H,222,256)(H,223,264)(H,236,237)(H,271,272)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.0540 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115504
(CHEMBL3609223)Show 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](C)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](CC(C)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 |r| Show InChI InChI=1S/C167H271N53O47S7/c1-14-83(5)124-157(260)203-110(68-123(231)232)147(250)218-129(90(12)228)161(264)216-125(84(6)15-2)162(265)220-61-34-47-121(220)156(259)197-99(42-24-28-55-170)138(241)205-112(72-222)148(251)193-103(46-33-60-185-167(179)180)139(242)209-119-79-272-271-77-117-153(256)195-101(44-31-58-183-165(175)176)134(237)191-100(43-25-29-56-171)141(244)217-128(89(11)227)160(263)212-115(133(236)186-70-122(230)214-126(87(9)225)159(262)213-120(163(266)267)80-274-273-78-118(154(257)215-124)211-151(254)111(71-221)204-132(235)96(172)39-30-57-182-164(173)174)75-269-270-76-116(208-131(234)85(7)188-142(245)106(64-91-35-18-16-19-36-91)198-130(233)86(8)189-158(261)127(88(10)226)219-155(119)258)152(255)194-98(41-23-27-54-169)136(239)202-109(67-94-69-181-81-187-94)146(249)207-113(73-223)149(252)196-104(52-62-268-13)140(243)190-97(40-22-26-53-168)135(238)200-108(66-93-48-50-95(229)51-49-93)144(247)192-102(45-32-59-184-166(177)178)137(240)199-105(63-82(3)4)143(246)206-114(74-224)150(253)201-107(145(248)210-117)65-92-37-20-17-21-38-92/h16-21,35-38,48-51,69,81-90,96-121,124-129,221-229H,14-15,22-34,39-47,52-68,70-80,168-172H2,1-13H3,(H,181,187)(H,186,236)(H,188,245)(H,189,261)(H,190,243)(H,191,237)(H,192,247)(H,193,251)(H,194,255)(H,195,256)(H,196,252)(H,197,259)(H,198,233)(H,199,240)(H,200,238)(H,201,253)(H,202,239)(H,203,260)(H,204,235)(H,205,241)(H,206,246)(H,207,249)(H,208,234)(H,209,242)(H,210,248)(H,211,254)(H,212,263)(H,213,262)(H,214,230)(H,215,257)(H,216,264)(H,217,244)(H,218,250)(H,219,258)(H,231,232)(H,266,267)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t83-,84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,124-,125-,126-,127-,128-,129-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0540 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115683
(CHEMBL3609272)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C171H276N54O49S7/c1-13-85(5)128-161(267)209-113(71-127(238)239)152(258)223-133(91(11)232)165(271)221-129(86(6)14-2)166(272)225-64-33-46-123(225)160(266)203-100(41-23-27-58-174)137(243)200-106(52-54-126(236)237)143(249)196-104(45-32-63-190-171(184)185)142(248)214-121-81-279-278-79-119-157(263)199-102(43-30-61-188-169(180)181)138(244)195-101(42-24-28-59-175)146(252)222-132(90(10)231)164(270)217-117(136(242)191-73-125(235)219-130(88(8)229)163(269)218-122(167(273)274)82-281-280-80-120(158(264)220-128)216-155(261)114(74-226)210-135(241)97(176)38-29-60-187-168(178)179)77-276-277-78-118(213-144(250)105(51-53-124(177)234)201-148(254)109(67-92-34-17-15-18-35-92)204-134(240)87(7)193-162(268)131(89(9)230)224-159(121)265)156(262)198-99(40-22-26-57-173)140(246)208-112(70-95-72-186-83-192-95)151(257)212-115(75-227)153(259)202-107(55-65-275-12)145(251)194-98(39-21-25-56-172)139(245)206-111(69-94-47-49-96(233)50-48-94)149(255)197-103(44-31-62-189-170(182)183)141(247)205-108(66-84(3)4)147(253)211-116(76-228)154(260)207-110(150(256)215-119)68-93-36-19-16-20-37-93/h15-20,34-37,47-50,72,83-91,97-123,128-133,226-233H,13-14,21-33,38-46,51-71,73-82,172-176H2,1-12H3,(H2,177,234)(H,186,192)(H,191,242)(H,193,268)(H,194,251)(H,195,244)(H,196,249)(H,197,255)(H,198,262)(H,199,263)(H,200,243)(H,201,254)(H,202,259)(H,203,266)(H,204,240)(H,205,247)(H,206,245)(H,207,260)(H,208,246)(H,209,267)(H,210,241)(H,211,253)(H,212,257)(H,213,250)(H,214,248)(H,215,256)(H,216,261)(H,217,270)(H,218,269)(H,219,235)(H,220,264)(H,221,271)(H,222,252)(H,223,258)(H,224,265)(H,236,237)(H,238,239)(H,273,274)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115593
(CHEMBL3609236)Show 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](CC(C)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)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 |r| Show InChI InChI=1S/C168H272N54O47S7/c1-13-84(5)126-159(263)206-111(69-125(233)234)149(253)220-130(90(11)229)162(266)219-127(85(6)14-2)163(267)222-62-33-46-122(222)158(262)200-100(42-24-28-57-172)140(244)208-113(73-224)150(254)195-103(45-32-61-187-168(181)182)141(245)213-120-80-274-273-78-118-155(259)197-101(43-30-59-185-166(177)178)136(240)192-97(39-21-25-54-169)135(239)190-86(7)132(236)211-116(134(238)188-71-124(232)217-128(88(9)227)161(265)216-121(164(268)269)81-276-275-79-119(156(260)218-126)215-153(257)112(72-223)207-133(237)96(173)38-29-58-184-165(175)176)76-271-272-77-117(212-142(246)104(51-52-123(174)231)198-145(249)107(65-91-34-17-15-18-35-91)201-131(235)87(8)191-160(264)129(89(10)228)221-157(120)261)154(258)196-99(41-23-27-56-171)138(242)205-110(68-94-70-183-82-189-94)148(252)210-114(74-225)151(255)199-105(53-63-270-12)143(247)193-98(40-22-26-55-170)137(241)203-109(67-93-47-49-95(230)50-48-93)146(250)194-102(44-31-60-186-167(179)180)139(243)202-106(64-83(3)4)144(248)209-115(75-226)152(256)204-108(147(251)214-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-130,223-230H,13-14,21-33,38-46,51-69,71-81,169-173H2,1-12H3,(H2,174,231)(H,183,189)(H,188,238)(H,190,239)(H,191,264)(H,192,240)(H,193,247)(H,194,250)(H,195,254)(H,196,258)(H,197,259)(H,198,249)(H,199,255)(H,200,262)(H,201,235)(H,202,243)(H,203,241)(H,204,256)(H,205,242)(H,206,263)(H,207,237)(H,208,244)(H,209,248)(H,210,252)(H,211,236)(H,212,246)(H,213,245)(H,214,251)(H,215,257)(H,216,265)(H,217,232)(H,218,260)(H,219,266)(H,220,253)(H,221,261)(H,233,234)(H,268,269)(H4,175,176,184)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t84-,85-,86-,87-,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115774
(CHEMBL3609035)Show 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)[C@H](CCC(O)=O)NC(=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](CC(C)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 |r| Show InChI InChI=1S/C172H278N54O50S7/c1-13-85(5)128-162(269)209-113(71-127(239)240)151(258)224-133(91(11)234)166(273)221-129(86(6)14-2)167(274)226-64-33-46-124(226)161(268)203-100(41-23-27-58-175)140(247)211-115(74-228)152(259)197-104(45-32-63-191-172(185)186)141(248)215-122-81-281-279-78-119-157(264)199-102(43-30-61-189-170(181)182)136(243)195-101(42-24-28-59-176)144(251)222-131(89(9)232)164(271)218-120(158(265)201-106(52-54-126(237)238)145(252)223-132(90(10)233)165(272)219-123(168(275)276)82-283-282-80-121(159(266)220-128)217-155(262)114(73-227)210-135(242)97(177)38-29-60-188-169(179)180)79-280-278-77-118(214-142(249)105(51-53-125(178)236)200-147(254)109(67-92-34-17-15-18-35-92)204-134(241)87(7)193-163(270)130(88(8)231)225-160(122)267)156(263)198-99(40-22-26-57-174)138(245)208-112(70-95-72-187-83-192-95)150(257)213-116(75-229)153(260)202-107(55-65-277-12)143(250)194-98(39-21-25-56-173)137(244)206-111(69-94-47-49-96(235)50-48-94)148(255)196-103(44-31-62-190-171(183)184)139(246)205-108(66-84(3)4)146(253)212-117(76-230)154(261)207-110(149(256)216-119)68-93-36-19-16-20-37-93/h15-20,34-37,47-50,72,83-91,97-124,128-133,227-235H,13-14,21-33,38-46,51-71,73-82,173-177H2,1-12H3,(H2,178,236)(H,187,192)(H,193,270)(H,194,250)(H,195,243)(H,196,255)(H,197,259)(H,198,263)(H,199,264)(H,200,254)(H,201,265)(H,202,260)(H,203,268)(H,204,241)(H,205,246)(H,206,244)(H,207,261)(H,208,245)(H,209,269)(H,210,242)(H,211,247)(H,212,253)(H,213,257)(H,214,249)(H,215,248)(H,216,256)(H,217,262)(H,218,271)(H,219,272)(H,220,266)(H,221,273)(H,222,251)(H,223,252)(H,224,258)(H,225,267)(H,237,238)(H,239,240)(H,275,276)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,128-,129-,130-,131-,132-,133-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115496
(CHEMBL3608995)Show SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](C)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](CC(C)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)CC |r| Show InChI InChI=1S/C168H272N54O47S7/c1-13-84(5)126-159(263)206-111(69-125(233)234)144(248)190-87(8)132(236)219-127(85(6)14-2)163(267)222-62-33-46-122(222)158(262)200-99(41-23-27-56-171)139(243)208-113(73-224)150(254)195-103(45-32-61-187-168(181)182)140(244)212-120-80-274-273-78-118-155(259)197-101(43-30-59-185-166(177)178)135(239)193-100(42-24-28-57-172)143(247)220-130(90(11)229)162(266)215-116(134(238)188-71-124(232)217-128(88(9)227)161(265)216-121(164(268)269)81-276-275-79-119(156(260)218-126)214-153(257)112(72-223)207-133(237)96(173)38-29-58-184-165(175)176)76-271-272-77-117(211-141(245)104(51-52-123(174)231)198-146(250)107(65-91-34-17-15-18-35-91)201-131(235)86(7)191-160(264)129(89(10)228)221-157(120)261)154(258)196-98(40-22-26-55-170)137(241)205-110(68-94-70-183-82-189-94)149(253)210-114(74-225)151(255)199-105(53-63-270-12)142(246)192-97(39-21-25-54-169)136(240)203-109(67-93-47-49-95(230)50-48-93)147(251)194-102(44-31-60-186-167(179)180)138(242)202-106(64-83(3)4)145(249)209-115(75-226)152(256)204-108(148(252)213-118)66-92-36-19-16-20-37-92/h15-20,34-37,47-50,70,82-90,96-122,126-130,223-230H,13-14,21-33,38-46,51-69,71-81,169-173H2,1-12H3,(H2,174,231)(H,183,189)(H,188,238)(H,190,248)(H,191,264)(H,192,246)(H,193,239)(H,194,251)(H,195,254)(H,196,258)(H,197,259)(H,198,250)(H,199,255)(H,200,262)(H,201,235)(H,202,242)(H,203,240)(H,204,256)(H,205,241)(H,206,263)(H,207,237)(H,208,243)(H,209,249)(H,210,253)(H,211,245)(H,212,244)(H,213,252)(H,214,257)(H,215,266)(H,216,265)(H,217,232)(H,218,260)(H,219,236)(H,220,247)(H,221,261)(H,233,234)(H,268,269)(H4,175,176,184)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t84-,85-,86-,87-,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115682
(CHEMBL3609271)Show 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](CC(C)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](CCC(O)=O)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 |r| Show InChI InChI=1S/C168H269N53O50S7/c1-13-82(5)125-158(264)204-109(67-124(235)236)148(254)219-130(88(11)229)162(268)217-126(83(6)14-2)163(269)221-60-31-43-120(221)157(263)198-102(49-51-123(233)234)139(245)206-111(71-223)149(255)193-100(42-30-59-186-168(180)181)138(244)210-118-78-276-275-76-116-154(260)195-98(40-28-57-184-166(176)177)134(240)191-97(39-23-26-55-171)142(248)218-129(87(10)228)161(267)213-114(133(239)187-69-122(232)215-127(85(8)226)160(266)214-119(164(270)271)79-278-277-77-117(155(261)216-125)212-152(258)110(70-222)205-132(238)94(172)36-27-56-183-165(174)175)74-273-274-75-115(209-140(246)101(48-50-121(173)231)196-144(250)105(63-89-32-17-15-18-33-89)199-131(237)84(7)189-159(265)128(86(9)227)220-156(118)262)153(259)194-96(38-22-25-54-170)136(242)203-108(66-92-68-182-80-188-92)147(253)208-112(72-224)150(256)197-103(52-61-272-12)141(247)190-95(37-21-24-53-169)135(241)201-107(65-91-44-46-93(230)47-45-91)145(251)192-99(41-29-58-185-167(178)179)137(243)200-104(62-81(3)4)143(249)207-113(73-225)151(257)202-106(146(252)211-116)64-90-34-19-16-20-35-90/h15-20,32-35,44-47,68,80-88,94-120,125-130,222-230H,13-14,21-31,36-43,48-67,69-79,169-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,239)(H,189,265)(H,190,247)(H,191,240)(H,192,251)(H,193,255)(H,194,259)(H,195,260)(H,196,250)(H,197,256)(H,198,263)(H,199,237)(H,200,243)(H,201,241)(H,202,257)(H,203,242)(H,204,264)(H,205,238)(H,206,245)(H,207,249)(H,208,253)(H,209,246)(H,210,244)(H,211,252)(H,212,258)(H,213,267)(H,214,266)(H,215,232)(H,216,261)(H,217,268)(H,218,248)(H,219,254)(H,220,262)(H,233,234)(H,235,236)(H,270,271)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,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-,120-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115798
(CHEMBL3609048)Show 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](CC(C)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](CCCNC(N)=N)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 |r| Show InChI InChI=1S/C169H274N56O48S7/c1-13-83(5)125-158(266)208-110(68-124(237)238)148(256)223-130(89(11)233)162(270)221-126(84(6)14-2)163(271)225-61-32-45-121(225)157(265)202-97(39-22-25-54-171)138(246)210-112(72-227)149(257)197-102(44-31-60-190-169(183)184)139(247)214-119-79-278-277-77-117-154(262)198-99(41-28-57-187-166(177)178)134(242)195-98(40-23-26-55-172)142(250)222-129(88(10)232)161(269)217-115(133(241)191-70-123(236)219-127(86(8)230)160(268)218-120(164(272)273)80-280-279-78-118(155(263)220-125)216-152(260)111(71-226)209-132(240)95(173)37-27-56-186-165(175)176)75-275-276-76-116(213-140(248)103(50-51-122(174)235)200-144(252)106(64-90-33-17-15-18-34-90)203-131(239)85(7)193-159(267)128(87(9)231)224-156(119)264)153(261)199-101(43-30-59-189-168(181)182)137(245)207-109(67-93-69-185-81-192-93)147(255)212-113(73-228)150(258)201-104(52-62-274-12)141(249)194-96(38-21-24-53-170)135(243)205-108(66-92-46-48-94(234)49-47-92)145(253)196-100(42-29-58-188-167(179)180)136(244)204-105(63-82(3)4)143(251)211-114(74-229)151(259)206-107(146(254)215-117)65-91-35-19-16-20-36-91/h15-20,33-36,46-49,69,81-89,95-121,125-130,226-234H,13-14,21-32,37-45,50-68,70-80,170-173H2,1-12H3,(H2,174,235)(H,185,192)(H,191,241)(H,193,267)(H,194,249)(H,195,242)(H,196,253)(H,197,257)(H,198,262)(H,199,261)(H,200,252)(H,201,258)(H,202,265)(H,203,239)(H,204,244)(H,205,243)(H,206,259)(H,207,245)(H,208,266)(H,209,240)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,269)(H,218,268)(H,219,236)(H,220,263)(H,221,270)(H,222,250)(H,223,256)(H,224,264)(H,237,238)(H,272,273)(H4,175,176,186)(H4,177,178,187)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t83-,84-,85-,86+,87+,88+,89+,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-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0560 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50115807
(CHEMBL3609058)Show 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](CC(C)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](CCCNC(N)=N)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 |r| Show InChI InChI=1S/C169H274N56O48S7/c1-13-83(5)125-158(266)208-110(68-124(237)238)148(256)223-130(89(11)233)162(270)221-126(84(6)14-2)163(271)225-61-32-45-121(225)157(265)202-98(40-23-26-55-172)138(246)210-112(72-227)149(257)197-101(43-30-59-189-168(181)182)139(247)214-119-79-278-277-77-117-154(262)199-99(41-28-57-187-166(177)178)134(242)195-102(44-31-60-190-169(183)184)142(250)222-129(88(10)232)161(269)217-115(133(241)191-70-123(236)219-127(86(8)230)160(268)218-120(164(272)273)80-280-279-78-118(155(263)220-125)216-152(260)111(71-226)209-132(240)95(173)37-27-56-186-165(175)176)75-275-276-76-116(213-140(248)103(50-51-122(174)235)200-144(252)106(64-90-33-17-15-18-34-90)203-131(239)85(7)193-159(267)128(87(9)231)224-156(119)264)153(261)198-97(39-22-25-54-171)136(244)207-109(67-93-69-185-81-192-93)147(255)212-113(73-228)150(258)201-104(52-62-274-12)141(249)194-96(38-21-24-53-170)135(243)205-108(66-92-46-48-94(234)49-47-92)145(253)196-100(42-29-58-188-167(179)180)137(245)204-105(63-82(3)4)143(251)211-114(74-229)151(259)206-107(146(254)215-117)65-91-35-19-16-20-36-91/h15-20,33-36,46-49,69,81-89,95-121,125-130,226-234H,13-14,21-32,37-45,50-68,70-80,170-173H2,1-12H3,(H2,174,235)(H,185,192)(H,191,241)(H,193,267)(H,194,249)(H,195,242)(H,196,253)(H,197,257)(H,198,261)(H,199,262)(H,200,252)(H,201,258)(H,202,265)(H,203,239)(H,204,245)(H,205,243)(H,206,259)(H,207,244)(H,208,266)(H,209,240)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,269)(H,218,268)(H,219,236)(H,220,263)(H,221,270)(H,222,250)(H,223,256)(H,224,264)(H,237,238)(H,272,273)(H4,175,176,186)(H4,177,178,187)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t83-,84-,85-,86+,87+,88+,89+,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-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay 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... |
J Med Chem 58: 6784-802 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG |
More data for this
Ligand-Target Pair | |
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