Found 3 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily A member 3' and Ligand = 'BDBM50115495' 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)) | 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)) | 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)) | 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 | 0.179 | 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 | |
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