Found 3 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily A member 3' and Ligand = 'BDBM50115498' 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)) | 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)) | 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 | 0.0660 | 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)) | 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 | 0.0790 | 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 | |
Search and Browse
