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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily A member 1' and Ligand = 'BDBM50115701'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))
BDBM50115701
PNG
(CHEMBL3609034)
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](CCC(O)=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/C170H274N54O49S7/c1-12-85(5)128-161(267)208-112(70-127(237)238)151(257)222-132(90(10)231)164(270)221-129(86(6)13-2)165(271)224-63-32-45-123(224)160(266)202-100(41-23-27-58-174)141(247)210-114(74-226)152(258)196-103(44-31-62-189-170(183)184)142(248)215-121-81-278-277-79-119-157(263)198-101(42-29-60-187-168(179)180)137(243)193-97(38-20-24-55-171)136(242)199-105(51-53-126(235)236)144(250)213-117(135(241)190-72-125(234)219-130(88(8)229)163(269)218-122(166(272)273)82-280-279-80-120(158(264)220-128)217-155(261)113(73-225)209-134(240)96(175)37-28-59-186-167(177)178)77-275-276-78-118(214-143(249)104(50-52-124(176)233)200-147(253)108(66-91-33-16-14-17-34-91)203-133(239)87(7)192-162(268)131(89(9)230)223-159(121)265)156(262)197-99(40-22-26-57-173)139(245)207-111(69-94-71-185-83-191-94)150(256)212-115(75-227)153(259)201-106(54-64-274-11)145(251)194-98(39-21-25-56-172)138(244)205-110(68-93-46-48-95(232)49-47-93)148(254)195-102(43-30-61-188-169(181)182)140(246)204-107(65-84(3)4)146(252)211-116(76-228)154(260)206-109(149(255)216-119)67-92-35-18-15-19-36-92/h14-19,33-36,46-49,71,83-90,96-123,128-132,225-232H,12-13,20-32,37-45,50-70,72-82,171-175H2,1-11H3,(H2,176,233)(H,185,191)(H,190,241)(H,192,268)(H,193,243)(H,194,251)(H,195,254)(H,196,258)(H,197,262)(H,198,263)(H,199,242)(H,200,253)(H,201,259)(H,202,266)(H,203,239)(H,204,246)(H,205,244)(H,206,260)(H,207,245)(H,208,267)(H,209,240)(H,210,247)(H,211,252)(H,212,256)(H,213,250)(H,214,249)(H,215,248)(H,216,255)(H,217,261)(H,218,269)(H,219,234)(H,220,264)(H,221,270)(H,222,257)(H,223,265)(H,235,236)(H,237,238)(H,272,273)(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-,128-,129-,130-,131-,132-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


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