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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 = 'BDBM50115683'   
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))
BDBM50115683
PNG
(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

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.00400n/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