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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P16390   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily A member 3


(Mus musculus)
BDBM50115772
PNG
(CHEMBL3609094)
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](CN)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](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/C166H268N54O48S7/c1-13-81(5)123-156(261)202-107(65-122(232)233)145(250)218-128(87(11)228)160(265)216-124(82(6)14-2)161(266)220-58-31-43-119(220)155(260)196-95(38-22-25-52-168)135(240)205-110(70-222)147(252)191-99(42-30-57-185-166(179)180)136(241)209-117-77-273-272-75-115-152(257)193-97(40-28-55-183-164(175)176)132(237)189-96(39-23-26-53-169)139(244)217-127(86(10)227)159(264)212-113(131(236)186-68-121(231)214-125(84(8)225)158(263)213-118(162(267)268)78-275-274-76-116(153(258)215-123)211-150(255)109(69-221)204-130(235)93(171)36-27-54-182-163(173)174)73-270-271-74-114(208-137(242)100(48-49-120(172)230)194-141(246)103(61-88-32-17-15-18-33-88)197-129(234)83(7)188-157(262)126(85(9)226)219-154(117)259)151(256)192-94(37-21-24-51-167)133(238)201-106(64-91-67-181-79-187-91)144(249)207-111(71-223)148(253)195-101(50-59-269-12)138(243)203-108(66-170)146(251)199-105(63-90-44-46-92(229)47-45-90)142(247)190-98(41-29-56-184-165(177)178)134(239)198-102(60-80(3)4)140(245)206-112(72-224)149(254)200-104(143(248)210-115)62-89-34-19-16-20-35-89/h15-20,32-35,44-47,67,79-87,93-119,123-128,221-229H,13-14,21-31,36-43,48-66,68-78,167-171H2,1-12H3,(H2,172,230)(H,181,187)(H,186,236)(H,188,262)(H,189,237)(H,190,247)(H,191,252)(H,192,256)(H,193,257)(H,194,246)(H,195,253)(H,196,260)(H,197,234)(H,198,239)(H,199,251)(H,200,254)(H,201,238)(H,202,261)(H,203,243)(H,204,235)(H,205,240)(H,206,245)(H,207,249)(H,208,242)(H,209,241)(H,210,248)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,244)(H,218,250)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t81-,82-,83-,84+,85+,86+,87+,93-,94-,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-,123-,124-,125-,126-,127-,128-/m0/s1
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Article
PubMed
n/an/a 0.0230n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ChTX from mouse Kv1.3 after 20 mins by scintillation counting analysis


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


(Mus musculus)
BDBM50083523
PNG
((1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine | CH...)
Show SMILES CCCCC\N=c1/ccn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3/b22-20+
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n/an/a 230n/an/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak steady-state K+ currents of voltage-gated potassium channel subunit Kv1.3 in mouse fibroblasts L929 at 50 uM


J Med Chem 44: 1249-56 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8KZV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Mus musculus)
BDBM50098785
PNG
(4-Benzhydryloxymethyl-1-[3-(4-methoxy-phenyl)-prop...)
Show SMILES COc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
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n/an/a 280n/an/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak steady-state K+ currents of voltage-gated potassium channel subunit Kv1.3 in mouse fibroblasts L929 at 50 uM


J Med Chem 44: 1249-56 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8KZV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Mus musculus)
BDBM50098782
PNG
(2-Isopropyl-8-methoxy-5-methyl-5H-furo[3,2-c]quino...)
Show SMILES COc1ccc2n(C)c(=O)c3cc(oc3c2c1)C(C)C
Show InChI InChI=1S/C16H17NO3/c1-9(2)14-8-12-15(20-14)11-7-10(19-4)5-6-13(11)17(3)16(12)18/h5-9H,1-4H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak steady-state K+ currents of voltage-gated potassium channel subunit Kv1.3 in mouse fibroblasts L929 at 50 uM


J Med Chem 44: 1249-56 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8KZV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Mus musculus)
BDBM50098781
PNG
(9-Methoxy-2,2,6-trimethyl-2,6-dihydro-pyrano[3,2-c...)
Show SMILES COc1ccc2n(C)c(=O)c3C=CC(C)(C)Oc3c2c1 |c:11|
Show InChI InChI=1S/C16H17NO3/c1-16(2)8-7-11-14(20-16)12-9-10(19-4)5-6-13(12)17(3)15(11)18/h5-9H,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak steady-state K+ currents of voltage-gated potassium channel subunit Kv1.3 in mouse fibroblasts L929 at 50 uM


J Med Chem 44: 1249-56 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8KZV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Mus musculus)
BDBM50098784
PNG
(9-Methoxy-2,2,6-trimethyl-2,3,4,6-tetrahydro-pyran...)
Show SMILES COc1ccc2n(C)c(=O)c3CCC(C)(C)Oc3c2c1
Show InChI InChI=1S/C16H19NO3/c1-16(2)8-7-11-14(20-16)12-9-10(19-4)5-6-13(12)17(3)15(11)18/h5-6,9H,7-8H2,1-4H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.3 expressed in L929 cells


J Med Chem 44: 1249-56 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8KZV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Mus musculus)
BDBM50098783
PNG
(4,6,7-Trimethoxy-furo[2,3-b]quinoline | CHEMBL2787...)
Show SMILES COc1cc2nc3occc3c(OC)c2cc1OC
Show InChI InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Kiel

Curated by ChEMBL


Assay Description
Blockade of peak steady-state K+ currents of voltage-gated potassium channel subunit Kv1.3 in mouse fibroblasts L929 at 50 uM


J Med Chem 44: 1249-56 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8KZV
More data for this
Ligand-Target Pair