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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 = 'BDBM50115776'   
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))
BDBM50115776
PNG
(CHEMBL3609037)
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](CCCNC(N)=N)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/C172H281N57O47S7/c1-13-86(5)128-161(269)213-114(72-127(240)241)152(260)227-133(92(11)236)165(273)225-129(87(6)14-2)166(274)229-65-34-48-124(229)160(268)207-101(42-23-27-58-175)141(249)214-115(75-230)153(261)202-106(47-33-64-194-172(187)188)143(251)219-122-82-281-280-80-120-157(265)204-104(45-31-62-192-170(183)184)137(245)200-102(43-24-28-59-176)146(254)226-132(91(10)235)164(272)221-118(136(244)195-74-126(239)223-130(89(8)233)163(271)222-123(167(275)276)83-283-282-81-121(158(266)224-128)218-142(250)103(44-30-61-191-169(181)182)198-135(243)98(177)39-29-60-190-168(179)180)78-278-279-79-119(217-144(252)107(53-54-125(178)238)205-148(256)110(68-93-35-17-15-18-36-93)208-134(242)88(7)197-162(270)131(90(9)234)228-159(122)267)156(264)203-100(41-22-26-57-174)139(247)212-113(71-96-73-189-84-196-96)151(259)216-116(76-231)154(262)206-108(55-66-277-12)145(253)199-99(40-21-25-56-173)138(246)210-112(70-95-49-51-97(237)52-50-95)149(257)201-105(46-32-63-193-171(185)186)140(248)209-109(67-85(3)4)147(255)215-117(77-232)155(263)211-111(150(258)220-120)69-94-37-19-16-20-38-94/h15-20,35-38,49-52,73,84-92,98-124,128-133,230-237H,13-14,21-34,39-48,53-72,74-83,173-177H2,1-12H3,(H2,178,238)(H,189,196)(H,195,244)(H,197,270)(H,198,243)(H,199,253)(H,200,245)(H,201,257)(H,202,261)(H,203,264)(H,204,265)(H,205,256)(H,206,262)(H,207,268)(H,208,242)(H,209,248)(H,210,246)(H,211,263)(H,212,247)(H,213,269)(H,214,249)(H,215,255)(H,216,259)(H,217,252)(H,218,250)(H,219,251)(H,220,258)(H,221,272)(H,222,271)(H,223,239)(H,224,266)(H,225,273)(H,226,254)(H,227,260)(H,228,267)(H,240,241)(H,275,276)(H4,179,180,190)(H4,181,182,191)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t86-,87-,88-,89+,90+,91+,92+,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

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 0.00100n/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