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Compile Data Set for Download or QSAR

Found 788 hits with Last Name = 'qian' and Initial = 'yx'   
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
Procathepsin L


(Homo sapiens (Human))		BDBM50137388
PNG
(((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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 1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137398
PNG
(((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...)
Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1
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 1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137394
PNG
(((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1
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 1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137400
PNG
(((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1
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 1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137392
PNG
(CHEMBL99195 | [(S)-1-((S)-1-Formyl-3-methylsulfany...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C19H28N2O4S/c1-14(2)11-17(18(23)20-16(12-22)9-10-26-3)21-19(24)25-13-15-7-5-4-6-8-15/h4-8,12,14,16-17H,9-11,13H2,1-3H3,(H,20,23)(H,21,24)/t16-,17-/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137393
PNG
(CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137389
PNG
(((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1
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 2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137395
PNG
(CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137400
PNG
(((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1
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 3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137390
PNG
(((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...)
Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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 3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137388
PNG
(((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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 4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137389
PNG
(((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1
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 5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137388
PNG
(((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(17-16-27-12-6-3-7-13-27)24-35-29-18-20-31(21-19-29)38-22-10-5-11-23-38/h3-4,6-9,12-15,18-21,26,30,32,35H,5,10-11,16-17,22-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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 7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137398
PNG
(((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...)
Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1
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 8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137387
PNG
(((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1
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 9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137391
PNG
(((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...)
Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1
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 9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137393
PNG
(CHEMBL353725 | {(S)-1-[(S)-1-Benzyl-2-(4-piperidin...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C34H44N4O3/c1-26(2)22-32(37-34(40)41-25-28-14-8-4-9-15-28)33(39)36-30(23-27-12-6-3-7-13-27)24-35-29-16-18-31(19-17-29)38-20-10-5-11-21-38/h3-4,6-9,12-19,26,30,32,35H,5,10-11,20-25H2,1-2H3,(H,36,39)(H,37,40)/t30-,32-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137386
PNG
(2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1
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 12n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137390
PNG
(((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...)
Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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 12n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137387
PNG
(((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1
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 14n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137395
PNG
(CHEMBL170242 | {(S)-1-[(S)-1-Benzyl-2-(4-morpholin...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)N1CCOCC1)Cc1ccccc1
Show InChI InChI=1S/C33H42N4O4/c1-25(2)21-31(36-33(39)41-24-27-11-7-4-8-12-27)32(38)35-29(22-26-9-5-3-6-10-26)23-34-28-13-15-30(16-14-28)37-17-19-40-20-18-37/h3-16,25,29,31,34H,17-24H2,1-2H3,(H,35,38)(H,36,39)/t29-,31-/m0/s1
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 15n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137397
PNG
(CHEMBL341014 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H28N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1
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 20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137401
PNG
(CHEMBL171998 | {(S)-1-[(S)-1-Benzyl-2-(biphenyl-4-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C35H39N3O3/c1-26(2)22-33(38-35(40)41-25-28-14-8-4-9-15-28)34(39)37-32(23-27-12-6-3-7-13-27)24-36-31-20-18-30(19-21-31)29-16-10-5-11-17-29/h3-21,26,32-33,36H,22-25H2,1-2H3,(H,37,39)(H,38,40)/t32-,33-/m0/s1
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 32n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137390
PNG
(((R)-3-Methylsulfanyl-1-{3-phenyl-1-[(4-piperidin-...)
Show SMILES CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C34H44N4O3S/c1-42-24-21-32(37-34(40)41-26-28-13-7-3-8-14-28)33(39)36-30(16-15-27-11-5-2-6-12-27)25-35-29-17-19-31(20-18-29)38-22-9-4-10-23-38/h2-3,5-8,11-14,17-20,30,32,35H,4,9-10,15-16,21-26H2,1H3,(H,36,39)(H,37,40)/t30-,32+/m0/s1
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 36n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137394
PNG
(((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1
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 48n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137398
PNG
(((R)-2-(4-Hydroxy-phenyl)-1-{3-phenyl-1-[(4-piperi...)
Show SMILES Oc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CNc2ccc(cc2)N2CCCCC2)cc1
Show InChI InChI=1S/C38H44N4O4/c43-35-22-15-30(16-23-35)26-36(41-38(45)46-28-31-12-6-2-7-13-31)37(44)40-33(17-14-29-10-4-1-5-11-29)27-39-32-18-20-34(21-19-32)42-24-8-3-9-25-42/h1-2,4-7,10-13,15-16,18-23,33,36,39,43H,3,8-9,14,17,24-28H2,(H,40,44)(H,41,45)/t33-,36+/m0/s1
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 106n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137400
PNG
(((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C38H44N4O3/c43-37(36(27-31-15-7-2-8-16-31)41-38(44)45-29-32-17-9-3-10-18-32)40-34(20-19-30-13-5-1-6-14-30)28-39-33-21-23-35(24-22-33)42-25-11-4-12-26-42/h1-3,5-10,13-18,21-24,34,36,39H,4,11-12,19-20,25-29H2,(H,40,43)(H,41,44)/t34-,36+/m0/s1
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 167n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137396
PNG
(CHEMBL423447 | [(S)-1-((S)-1-Benzyl-2-phenylamino-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C29H35N3O3/c1-22(2)18-27(32-29(34)35-21-24-14-8-4-9-15-24)28(33)31-26(19-23-12-6-3-7-13-23)20-30-25-16-10-5-11-17-25/h3-17,22,26-27,30H,18-21H2,1-2H3,(H,31,33)(H,32,34)/t26-,27-/m0/s1
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 230n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137389
PNG
(((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C35H46N4O3/c1-27(2)24-33(38-35(41)42-26-29-14-8-4-9-15-29)34(40)37-31(17-16-28-12-6-3-7-13-28)25-36-30-18-20-32(21-19-30)39-22-10-5-11-23-39/h3-4,6-9,12-15,18-21,27,31,33,36H,5,10-11,16-17,22-26H2,1-2H3,(H,37,40)(H,38,41)/t31-,33+/m0/s1
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 658n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137401
PNG
(CHEMBL171998 | {(S)-1-[(S)-1-Benzyl-2-(biphenyl-4-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc(cc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C35H39N3O3/c1-26(2)22-33(38-35(40)41-25-28-14-8-4-9-15-28)34(39)37-32(23-27-12-6-3-7-13-27)24-36-31-20-18-30(19-21-31)29-16-10-5-11-17-29/h3-21,26,32-33,36H,22-25H2,1-2H3,(H,37,39)(H,38,40)/t32-,33-/m0/s1
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 706n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137396
PNG
(CHEMBL423447 | [(S)-1-((S)-1-Benzyl-2-phenylamino-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C29H35N3O3/c1-22(2)18-27(32-29(34)35-21-24-14-8-4-9-15-24)28(33)31-26(19-23-12-6-3-7-13-23)20-30-25-16-10-5-11-17-25/h3-17,22,26-27,30H,18-21H2,1-2H3,(H,31,33)(H,32,34)/t26-,27-/m0/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137391
PNG
(((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...)
Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1
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 2.09E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137394
PNG
(((R)-2-(3H-Indol-3-yl)-1-{3-phenyl-1-[(4-piperidin...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C40H45N5O3/c46-39(38(26-32-27-42-37-17-9-8-16-36(32)37)44-40(47)48-29-31-14-6-2-7-15-31)43-34(19-18-30-12-4-1-5-13-30)28-41-33-20-22-35(23-21-33)45-24-10-3-11-25-45/h1-2,4-9,12-17,20-23,27,34,38,41-42H,3,10-11,18-19,24-26,28-29H2,(H,43,46)(H,44,47)/t34-,38+/m0/s1
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 3.36E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137391
PNG
(((R)-1-{3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)...)
Show SMILES C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C32H40N4O3/c1-25(34-32(38)39-24-27-13-7-3-8-14-27)31(37)35-29(16-15-26-11-5-2-6-12-26)23-33-28-17-19-30(20-18-28)36-21-9-4-10-22-36/h2-3,5-8,11-14,17-20,25,29,33H,4,9-10,15-16,21-24H2,1H3,(H,34,38)(H,35,37)/t25-,29+/m1/s1
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 4.11E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137386
PNG
(2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1
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 7.84E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137387
PNG
(((R)-3-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phe...)
Show SMILES O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)OCc1ccccc1
Show InChI InChI=1S/C39H46N4O3/c44-38(37(26-20-32-15-7-2-8-16-32)42-39(45)46-30-33-17-9-3-10-18-33)41-35(21-19-31-13-5-1-6-14-31)29-40-34-22-24-36(25-23-34)43-27-11-4-12-28-43/h1-3,5-10,13-18,22-25,35,37,40H,4,11-12,19-21,26-30H2,(H,41,44)(H,42,45)/t35-,37+/m0/s1
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 9.66E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137386
PNG
(2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-...)
Show SMILES O=C(N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1)C1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM50137399
PNG
(({3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methy...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C31H38N4O3/c36-30(23-33-31(37)38-24-26-12-6-2-7-13-26)34-28(15-14-25-10-4-1-5-11-25)22-32-27-16-18-29(19-17-27)35-20-8-3-9-21-35/h1-2,4-7,10-13,16-19,28,32H,3,8-9,14-15,20-24H2,(H,33,37)(H,34,36)/t28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin K

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))		BDBM50137399
PNG
(({3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methy...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C31H38N4O3/c36-30(23-33-31(37)38-24-26-12-6-2-7-13-26)34-28(15-14-25-10-4-1-5-11-25)22-32-27-16-18-29(19-17-27)35-20-8-3-9-21-35/h1-2,4-7,10-13,16-19,28,32H,3,8-9,14-15,20-24H2,(H,33,37)(H,34,36)/t28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin L

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50137399
PNG
(({3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methy...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C31H38N4O3/c36-30(23-33-31(37)38-24-26-12-6-2-7-13-26)34-28(15-14-25-10-4-1-5-11-25)22-32-27-16-18-29(19-17-27)35-20-8-3-9-21-35/h1-2,4-7,10-13,16-19,28,32H,3,8-9,14-15,20-24H2,(H,33,37)(H,34,36)/t28-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human cathepsin B

Bioorg Med Chem Lett 14: 87-90 (2003)


BindingDB Entry DOI: 10.7270/Q2930SKK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115508
PNG
(CHEMBL3609227)
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](C)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/C167H270N54O48S6/c1-13-82(5)124-157(262)204-109(67-123(233)234)147(252)219-129(89(12)229)161(266)217-125(83(6)14-2)162(267)221-61-33-46-120(221)156(261)198-98(41-23-27-55-170)138(243)206-112(72-224)149(254)194-102(45-32-60-186-167(180)181)139(244)210-118-78-273-272-76-116-153(258)196-100(43-30-58-184-165(176)177)134(239)192-99(42-24-28-56-171)141(246)218-128(88(11)228)160(265)213-114(133(238)187-69-122(232)215-126(86(9)226)159(264)214-119(163(268)269)79-275-274-77-117(154(259)216-124)212-151(256)111(71-223)205-132(237)95(172)38-29-57-183-164(174)175)74-270-271-75-115(209-140(245)103(51-52-121(173)231)197-143(248)105(63-90-34-17-15-18-35-90)199-131(236)85(8)190-158(263)127(87(10)227)220-155(118)260)152(257)195-97(40-22-26-54-169)136(241)203-108(66-93-68-182-80-188-93)146(251)207-110(70-222)148(253)189-84(7)130(235)191-96(39-21-25-53-168)135(240)201-107(65-92-47-49-94(230)50-48-92)144(249)193-101(44-31-59-185-166(178)179)137(242)200-104(62-81(3)4)142(247)208-113(73-225)150(255)202-106(145(250)211-116)64-91-36-19-16-20-37-91/h15-20,34-37,47-50,68,80-89,95-120,124-129,222-230H,13-14,21-33,38-46,51-67,69-79,168-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,238)(H,189,253)(H,190,263)(H,191,235)(H,192,239)(H,193,249)(H,194,254)(H,195,257)(H,196,258)(H,197,248)(H,198,261)(H,199,236)(H,200,242)(H,201,240)(H,202,255)(H,203,241)(H,204,262)(H,205,237)(H,206,243)(H,207,251)(H,208,247)(H,209,245)(H,210,244)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/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
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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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115569
PNG
(CHEMBL3609231)
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](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](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/c1-12-81(3)123-156(261)203-108(67-122(232)233)146(251)218-128(88(10)228)160(265)216-124(82(4)13-2)161(266)220-61-32-45-119(220)155(260)198-97(40-22-26-55-169)137(242)206-111(72-223)147(252)193-101(44-31-60-185-166(179)180)138(243)209-117-78-273-272-76-115-152(257)195-100(43-30-59-184-165(177)178)134(239)191-98(41-23-27-56-170)141(246)217-127(87(9)227)159(264)212-113(132(237)186-69-121(231)214-125(85(7)225)158(263)213-118(162(267)268)79-275-274-77-116(153(258)215-123)211-150(255)110(71-222)205-131(236)94(171)37-28-57-182-163(173)174)74-270-271-75-114(208-139(244)102(50-51-120(172)230)196-142(247)104(63-89-33-16-14-17-34-89)199-129(234)84(6)189-157(262)126(86(8)226)219-154(117)259)151(256)194-96(39-21-25-54-168)136(241)202-107(66-92-68-181-80-187-92)145(250)207-112(73-224)148(253)197-103(52-62-269-11)140(245)190-95(38-20-24-53-167)135(240)200-106(65-91-46-48-93(229)49-47-91)143(248)192-99(42-29-58-183-164(175)176)133(238)188-83(5)130(235)204-109(70-221)149(254)201-105(144(249)210-115)64-90-35-18-15-19-36-90/h14-19,33-36,46-49,68,80-88,94-119,123-128,221-229H,12-13,20-32,37-45,50-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,238)(H,189,262)(H,190,245)(H,191,239)(H,192,248)(H,193,252)(H,194,256)(H,195,257)(H,196,247)(H,197,253)(H,198,260)(H,199,234)(H,200,240)(H,201,254)(H,202,241)(H,203,261)(H,204,235)(H,205,236)(H,206,242)(H,207,250)(H,208,244)(H,209,243)(H,210,249)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,246)(H,218,251)(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+,88+,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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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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115589
PNG
(CHEMBL3609232)
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](C)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](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/C169H274N54O47S7/c1-14-84(5)126-159(263)207-112(70-125(234)235)150(254)221-131(91(12)230)163(267)219-127(85(6)15-2)164(268)223-63-34-47-122(223)158(262)201-100(42-24-28-57-172)140(244)209-114(74-225)151(255)196-104(46-33-62-188-169(182)183)141(245)212-120-80-275-274-78-118-155(259)198-102(44-31-60-186-167(178)179)136(240)194-101(43-25-29-58-173)144(248)220-130(90(11)229)162(266)215-116(135(239)189-72-124(233)217-128(88(9)227)161(265)216-121(165(269)270)81-277-276-79-119(156(260)218-126)214-153(257)113(73-224)208-134(238)97(174)39-30-59-185-166(176)177)76-272-273-77-117(211-142(246)105(52-53-123(175)232)199-146(250)108(66-92-35-18-16-19-36-92)202-133(237)87(8)192-160(264)129(89(10)228)222-157(120)261)154(258)197-99(41-23-27-56-171)138(242)206-111(69-95-71-184-82-190-95)149(253)210-115(75-226)152(256)200-106(54-64-271-13)143(247)193-98(40-22-26-55-170)137(241)205-110(68-94-48-50-96(231)51-49-94)147(251)195-103(45-32-61-187-168(180)181)139(243)204-107(65-83(3)4)145(249)191-86(7)132(236)203-109(148(252)213-118)67-93-37-20-17-21-38-93/h16-21,35-38,48-51,71,82-91,97-122,126-131,224-231H,14-15,22-34,39-47,52-70,72-81,170-174H2,1-13H3,(H2,175,232)(H,184,190)(H,189,239)(H,191,249)(H,192,264)(H,193,247)(H,194,240)(H,195,251)(H,196,255)(H,197,258)(H,198,259)(H,199,250)(H,200,256)(H,201,262)(H,202,237)(H,203,236)(H,204,243)(H,205,241)(H,206,242)(H,207,263)(H,208,238)(H,209,244)(H,210,253)(H,211,246)(H,212,245)(H,213,252)(H,214,257)(H,215,266)(H,216,265)(H,217,233)(H,218,260)(H,219,267)(H,220,248)(H,221,254)(H,222,261)(H,234,235)(H,269,270)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,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-,126-,127-,128-,129-,130-,131-/m0/s1
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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
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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115603
PNG
(CHEMBL3609245)
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](Cc1cccc3ccccc13)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/C179H280N54O47S7/c1-13-91(5)136-169(273)217-122(77-135(244)245)160(264)231-141(97(11)240)173(277)229-137(92(6)14-2)174(278)233-69-36-53-132(233)168(272)210-109(48-25-29-63-182)148(252)215-120(75-102-43-31-42-101-41-21-22-44-105(101)102)158(262)205-113(52-35-68-198-179(192)193)150(254)222-130-87-285-284-85-128-165(269)207-111(50-33-66-196-177(188)189)145(249)203-110(49-26-30-64-183)153(257)230-140(96(10)239)172(276)225-126(144(248)199-79-134(243)227-138(94(8)237)171(275)226-131(175(279)280)88-287-286-86-129(166(270)228-136)224-163(267)123(80-234)218-143(247)106(184)45-32-65-195-176(186)187)83-282-283-84-127(221-151(255)114(58-59-133(185)242)208-155(259)117(72-98-37-17-15-18-38-98)211-142(246)93(7)201-170(274)139(95(9)238)232-167(130)271)164(268)206-108(47-24-28-62-181)147(251)216-121(76-103-78-194-89-200-103)159(263)220-124(81-235)161(265)209-115(60-70-281-12)152(256)202-107(46-23-27-61-180)146(250)213-119(74-100-54-56-104(241)57-55-100)156(260)204-112(51-34-67-197-178(190)191)149(253)212-116(71-90(3)4)154(258)219-125(82-236)162(266)214-118(157(261)223-128)73-99-39-19-16-20-40-99/h15-22,31,37-44,54-57,78,89-97,106-132,136-141,234-241H,13-14,23-30,32-36,45-53,58-77,79-88,180-184H2,1-12H3,(H2,185,242)(H,194,200)(H,199,248)(H,201,274)(H,202,256)(H,203,249)(H,204,260)(H,205,262)(H,206,268)(H,207,269)(H,208,259)(H,209,265)(H,210,272)(H,211,246)(H,212,253)(H,213,250)(H,214,266)(H,215,252)(H,216,251)(H,217,273)(H,218,247)(H,219,258)(H,220,263)(H,221,255)(H,222,254)(H,223,261)(H,224,267)(H,225,276)(H,226,275)(H,227,243)(H,228,270)(H,229,277)(H,230,257)(H,231,264)(H,232,271)(H,244,245)(H,279,280)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t91-,92-,93-,94+,95+,96+,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,136-,137-,138-,139-,140-,141-/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 0.00100n/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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115504
PNG
(CHEMBL3609223)
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](C)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](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/C167H271N53O47S7/c1-14-83(5)124-157(260)203-110(68-123(231)232)147(250)218-129(90(12)228)161(264)216-125(84(6)15-2)162(265)220-61-34-47-121(220)156(259)197-99(42-24-28-55-170)138(241)205-112(72-222)148(251)193-103(46-33-60-185-167(179)180)139(242)209-119-79-272-271-77-117-153(256)195-101(44-31-58-183-165(175)176)134(237)191-100(43-25-29-56-171)141(244)217-128(89(11)227)160(263)212-115(133(236)186-70-122(230)214-126(87(9)225)159(262)213-120(163(266)267)80-274-273-78-118(154(257)215-124)211-151(254)111(71-221)204-132(235)96(172)39-30-57-182-164(173)174)75-269-270-76-116(208-131(234)85(7)188-142(245)106(64-91-35-18-16-19-36-91)198-130(233)86(8)189-158(261)127(88(10)226)219-155(119)258)152(255)194-98(41-23-27-54-169)136(239)202-109(67-94-69-181-81-187-94)146(249)207-113(73-223)149(252)196-104(52-62-268-13)140(243)190-97(40-22-26-53-168)135(238)200-108(66-93-48-50-95(229)51-49-93)144(247)192-102(45-32-59-184-166(177)178)137(240)199-105(63-82(3)4)143(246)206-114(74-224)150(253)201-107(145(248)210-117)65-92-37-20-17-21-38-92/h16-21,35-38,48-51,69,81-90,96-121,124-129,221-229H,14-15,22-34,39-47,52-68,70-80,168-172H2,1-13H3,(H,181,187)(H,186,236)(H,188,245)(H,189,261)(H,190,243)(H,191,237)(H,192,247)(H,193,251)(H,194,255)(H,195,256)(H,196,252)(H,197,259)(H,198,233)(H,199,240)(H,200,238)(H,201,253)(H,202,239)(H,203,260)(H,204,235)(H,205,241)(H,206,246)(H,207,249)(H,208,234)(H,209,242)(H,210,248)(H,211,254)(H,212,263)(H,213,262)(H,214,230)(H,215,257)(H,216,264)(H,217,244)(H,218,250)(H,219,258)(H,231,232)(H,266,267)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t83-,84-,85-,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-,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
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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115813
PNG
(CHEMBL3609061)
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](CCCNC(N)=N)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(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/C171H279N57O47S7/c1-12-86(5)128-161(269)212-113(71-127(239)240)151(259)226-132(91(10)235)164(272)224-129(87(6)13-2)165(273)228-64-33-47-124(228)160(268)206-101(41-22-26-57-174)141(249)214-115(75-230)152(260)201-105(46-32-63-193-171(186)187)142(250)218-122-82-280-279-80-120-157(265)203-103(44-30-61-191-169(182)183)137(245)199-102(42-23-27-58-175)145(253)225-131(90(9)234)163(271)221-118(135(243)194-73-126(238)197-98(43-29-60-190-168(180)181)136(244)222-123(166(274)275)83-282-281-81-121(158(266)223-128)220-155(263)114(74-229)213-134(242)97(176)38-28-59-189-167(178)179)78-277-278-79-119(217-143(251)106(52-53-125(177)237)204-147(255)109(67-92-34-16-14-17-35-92)207-133(241)88(7)196-162(270)130(89(8)233)227-159(122)267)156(264)202-100(40-21-25-56-173)139(247)211-112(70-95-72-188-84-195-95)150(258)216-116(76-231)153(261)205-107(54-65-276-11)144(252)198-99(39-20-24-55-172)138(246)209-111(69-94-48-50-96(236)51-49-94)148(256)200-104(45-31-62-192-170(184)185)140(248)208-108(66-85(3)4)146(254)215-117(77-232)154(262)210-110(149(257)219-120)68-93-36-18-15-19-37-93/h14-19,34-37,48-51,72,84-91,97-124,128-132,229-236H,12-13,20-33,38-47,52-71,73-83,172-176H2,1-11H3,(H2,177,237)(H,188,195)(H,194,243)(H,196,270)(H,197,238)(H,198,252)(H,199,245)(H,200,256)(H,201,260)(H,202,264)(H,203,265)(H,204,255)(H,205,261)(H,206,268)(H,207,241)(H,208,248)(H,209,246)(H,210,262)(H,211,247)(H,212,269)(H,213,242)(H,214,249)(H,215,254)(H,216,258)(H,217,251)(H,218,250)(H,219,257)(H,220,263)(H,221,271)(H,222,244)(H,223,266)(H,224,272)(H,225,253)(H,226,259)(H,227,267)(H,239,240)(H,274,275)(H4,178,179,189)(H4,180,181,190)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)/t86-,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-,124-,128-,129-,130-,131-,132-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115699
PNG
(CHEMBL3609032)
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](CCC(O)=O)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/C168H269N51O50S7/c1-13-83(5)126-159(262)202-110(68-125(233)234)149(252)217-131(89(11)227)163(266)215-127(84(6)14-2)164(267)219-61-32-44-121(219)158(261)196-98(40-23-27-56-171)138(241)204-112(72-221)150(253)191-101(43-31-60-184-168(179)180)139(242)208-119-79-274-273-77-117-155(258)194-103(50-52-124(231)232)140(243)189-99(41-24-28-57-172)143(246)216-130(88(10)226)162(265)211-115(134(237)185-70-123(230)213-128(86(8)224)161(264)212-120(165(268)269)80-276-275-78-118(156(259)214-126)210-153(256)111(71-220)203-133(236)95(173)37-29-58-182-166(175)176)75-271-272-76-116(207-141(244)102(49-51-122(174)229)193-145(248)106(64-90-33-17-15-18-34-90)197-132(235)85(7)187-160(263)129(87(9)225)218-157(119)260)154(257)192-97(39-22-26-55-170)136(239)201-109(67-93-69-181-81-186-93)148(251)206-113(73-222)151(254)195-104(53-62-270-12)142(245)188-96(38-21-25-54-169)135(238)199-108(66-92-45-47-94(228)48-46-92)146(249)190-100(42-30-59-183-167(177)178)137(240)198-105(63-82(3)4)144(247)205-114(74-223)152(255)200-107(147(250)209-117)65-91-35-19-16-20-36-91/h15-20,33-36,45-48,69,81-89,95-121,126-131,220-228H,13-14,21-32,37-44,49-68,70-80,169-173H2,1-12H3,(H2,174,229)(H,181,186)(H,185,237)(H,187,263)(H,188,245)(H,189,243)(H,190,249)(H,191,253)(H,192,257)(H,193,248)(H,194,258)(H,195,254)(H,196,261)(H,197,235)(H,198,240)(H,199,238)(H,200,255)(H,201,239)(H,202,262)(H,203,236)(H,204,241)(H,205,247)(H,206,251)(H,207,244)(H,208,242)(H,209,250)(H,210,256)(H,211,265)(H,212,264)(H,213,230)(H,214,259)(H,215,266)(H,216,246)(H,217,252)(H,218,260)(H,231,232)(H,233,234)(H,268,269)(H4,175,176,182)(H4,177,178,183)(H4,179,180,184)/t83-,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-,121-,126-,127-,128-,129-,130-,131-/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
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))		BDBM50115632
PNG
(CHEMBL3609069)
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](CCCCN)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/C169H274N52O48S7/c1-13-85(5)127-160(262)204-112(70-126(233)234)150(252)219-132(91(11)229)164(266)217-128(86(6)14-2)165(267)221-63-34-47-123(221)159(261)198-101(43-24-29-58-173)140(242)206-114(74-223)151(253)193-100(42-23-28-57-172)141(243)210-121-81-274-273-79-119-156(258)195-103(45-32-61-185-168(179)180)136(238)191-102(44-25-30-59-174)144(246)218-131(90(10)228)163(265)213-117(135(237)187-72-125(232)215-129(88(8)226)162(264)214-122(166(268)269)82-276-275-80-120(157(259)216-127)212-154(256)113(73-222)205-134(236)97(175)39-31-60-184-167(177)178)77-271-272-78-118(209-142(244)105(52-53-124(176)231)196-146(248)108(66-92-35-17-15-18-36-92)199-133(235)87(7)189-161(263)130(89(9)227)220-158(121)260)155(257)194-99(41-22-27-56-171)138(240)203-111(69-95-71-183-83-188-95)149(251)208-115(75-224)152(254)197-106(54-64-270-12)143(245)190-98(40-21-26-55-170)137(239)201-110(68-94-48-50-96(230)51-49-94)147(249)192-104(46-33-62-186-169(181)182)139(241)200-107(65-84(3)4)145(247)207-116(76-225)153(255)202-109(148(250)211-119)67-93-37-19-16-20-38-93/h15-20,35-38,48-51,71,83-91,97-123,127-132,222-230H,13-14,21-34,39-47,52-70,72-82,170-175H2,1-12H3,(H2,176,231)(H,183,188)(H,187,237)(H,189,263)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,257)(H,195,258)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,241)(H,201,239)(H,202,255)(H,203,240)(H,204,262)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/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-,127-,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
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