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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 = 'BDBM50115501'   
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))
BDBM50115501
PNG
(CHEMBL3609220)
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](C)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/C166H267N51O48S7/c1-14-82(5)124-157(258)200-109(67-123(229)230)147(248)215-129(89(12)225)161(262)213-125(83(6)15-2)162(263)217-60-33-45-120(217)156(257)194-98(41-24-28-55-169)138(239)202-110(70-218)148(249)185-84(7)131(232)205-117-77-270-269-76-116-153(254)191-100(43-31-58-181-165(175)176)134(235)188-99(42-25-29-56-170)141(242)214-128(88(11)224)160(261)209-114(133(234)183-69-122(228)211-126(86(9)222)159(260)210-119(163(264)265)79-272-271-78-118(154(255)212-124)208-151(252)111(71-219)201-132(233)95(171)38-30-57-180-164(173)174)74-267-268-75-115(206-139(240)102(50-51-121(172)227)192-143(244)105(63-90-34-18-16-19-35-90)195-130(231)85(8)186-158(259)127(87(10)223)216-155(117)256)152(253)190-97(40-23-27-54-168)136(237)199-108(66-93-68-179-80-184-93)146(247)204-112(72-220)149(250)193-103(52-61-266-13)140(241)187-96(39-22-26-53-167)135(236)197-107(65-92-46-48-94(226)49-47-92)144(245)189-101(44-32-59-182-166(177)178)137(238)196-104(62-81(3)4)142(243)203-113(73-221)150(251)198-106(145(246)207-116)64-91-36-20-17-21-37-91/h16-21,34-37,46-49,68,80-89,95-120,124-129,218-226H,14-15,22-33,38-45,50-67,69-79,167-171H2,1-13H3,(H2,172,227)(H,179,184)(H,183,234)(H,185,249)(H,186,259)(H,187,241)(H,188,235)(H,189,245)(H,190,253)(H,191,254)(H,192,244)(H,193,250)(H,194,257)(H,195,231)(H,196,238)(H,197,236)(H,198,251)(H,199,237)(H,200,258)(H,201,233)(H,202,239)(H,203,243)(H,204,247)(H,205,232)(H,206,240)(H,207,246)(H,208,252)(H,209,261)(H,210,260)(H,211,228)(H,212,255)(H,213,262)(H,214,242)(H,215,248)(H,216,256)(H,229,230)(H,264,265)(H4,173,174,180)(H4,175,176,181)(H4,177,178,182)/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

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