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Compile Data Set for Download or QSAR

Found 7290 hits with Last Name = 'she' and Initial = 'l'   
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
Cathepsin K


(Homo sapiens (Human))
BDBM50167296
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-ethylhyd...)
Show SMILES CCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N
Show InChI InChI=1S/C13H23N3O2/c1-3-16(10-14)15-13(17)18-11(2)9-12-7-5-4-6-8-12/h11-12H,3-9H2,1-2H3,(H,15,17)/t11-/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167295
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-propylhy...)
Show SMILES CCCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N
Show InChI InChI=1S/C14H25N3O2/c1-3-9-17(11-15)16-14(18)19-12(2)10-13-7-5-4-6-8-13/h12-13H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167302
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isobutyl...)
Show SMILES CC(C)CN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N
Show InChI InChI=1S/C15H27N3O2/c1-12(2)10-18(11-16)17-15(19)20-13(3)9-14-7-5-4-6-8-14/h12-14H,4-10H2,1-3H3,(H,17,19)/t13-/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167298
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-benzyl-2-cyanohy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(Cc1ccccc1)C#N
Show InChI InChI=1S/C18H25N3O2/c1-15(12-16-8-4-2-5-9-16)23-18(22)20-21(14-19)13-17-10-6-3-7-11-17/h3,6-7,10-11,15-16H,2,4-5,8-9,12-13H2,1H3,(H,20,22)/t15-/m0/s1
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0.00600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167303
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-butyl-2-cyanohyd...)
Show SMILES CCCCN(NC(=O)O[C@@H](C)CC1CCCCC1)C#N
Show InChI InChI=1S/C15H27N3O2/c1-3-4-10-18(12-16)17-15(19)20-13(2)11-14-8-6-5-7-9-14/h13-14H,3-11H2,1-2H3,(H,17,19)/t13-/m0/s1
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0.00700n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167289
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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0.00900n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167290
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-isopropy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C#N)C(C)C
Show InChI InChI=1S/C14H25N3O2/c1-11(2)17(10-15)16-14(18)19-12(3)9-13-7-5-4-6-8-13/h11-13H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1
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0.0190n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50167289
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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0.0250n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50167288
PNG
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)
Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1
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0.0320n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50167288
PNG
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)
Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1
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0.0360n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin K


(Rattus norvegicus)
BDBM50167288
PNG
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)
Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1
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0.0720n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against rat cathepsin K


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50167289
PNG
((1S)-2-cyclohexyl-1-methylethyl 2-cyano-2-methylhy...)
Show SMILES C[C@@H](CC1CCCCC1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C12H21N3O2/c1-10(8-11-6-4-3-5-7-11)17-12(16)14-15(2)9-13/h10-11H,3-8H2,1-2H3,(H,14,16)/t10-/m0/s1
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0.0770n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50279775
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1
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0.120n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118100
PNG
(3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...)
Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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<0.200<-55.4 1n/an/an/an/a7.425



Broad Institute of Harvard and MIT



Assay Description
Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...


ACS Chem Biol 11: 363-74 (2016)


Article DOI: 10.1021/acschembio.5b00640
BindingDB Entry DOI: 10.7270/Q2BZ64T2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
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<0.200n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyw...


Bioorg Med Chem 24: 4008-4015 (2016)


BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253105
PNG
(6-Chloro-N-cyclopropyl-7-(1-((S)-3-methylmorpholin...)
Show SMILES CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C21H20ClN5O2/c1-12-11-28-8-7-27(12)21-15-4-3-13(9-14(15)10-24-25-21)18-17(22)6-5-16-19(18)29-26-20(16)23-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)/t12-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253148
PNG
(CHEMBL522689 | N-(S)-sec-Butyl-6-(6-methyl-3-(meth...)
Show SMILES CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12 |r|
Show InChI InChI=1S/C21H23N5O/c1-5-13(3)24-21-16-9-7-14(10-15(16)11-23-25-21)18-12(2)6-8-17-19(18)27-26-20(17)22-4/h6-11,13H,5H2,1-4H3,(H,22,26)(H,24,25)/t13-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50167288
PNG
((1S)-1-benzylpropyl 2-cyano-2-methylhydrazinecarbo...)
Show SMILES CC[C@@H](Cc1ccccc1)OC(=O)NN(C)C#N
Show InChI InChI=1S/C13H17N3O2/c1-3-12(9-11-7-5-4-6-8-11)18-13(17)15-16(2)10-14/h4-8,12H,3,9H2,1-2H3,(H,15,17)/t12-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC


Bioorg Med Chem Lett 15: 3039-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.032
BindingDB Entry DOI: 10.7270/Q2MS3S8C
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104371
PNG
(US8575186, 134/183/184 | US8575186, 199 | US857518...)
Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3|
Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50118099
PNG
(1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...)
Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O
Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)


J Med Chem 37: 240-7 (1994)


BindingDB Entry DOI: 10.7270/Q2N29XKD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104331
PNG
(US8575186, 177 | US8575186, 178 | US8575186, 94/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.280n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.280n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104408
PNG
(US8575186, 171/172 | US8575186, 188)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104378
PNG
(US8575186, 141)
Show SMILES Cc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1csc2ccccc12 |THB:5:6:16:8.9,13:12:16:8.9|
Show InChI InChI=1S/C23H22N2O2S2/c1-13-9-15(29(26,27)21-12-28-20-6-4-3-5-16(20)21)11-17-22-18-8-7-14(24-18)10-19(22)25(2)23(13)17/h3-6,9,11-12,14,18,24H,7-8,10H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252776
PNG
(CHEMBL495493 | N-Ethyl-6-methyl-7-(1-((S)-3-methyl...)
Show SMILES CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C23H25N5O2/c1-4-24-22-19-7-5-14(2)20(21(19)30-27-22)16-6-8-18-17(11-16)12-25-26-23(18)28-9-10-29-13-15(28)3/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,27)/t15-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells


Bioorg Med Chem Lett 11: 2769-73 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1M4W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253102
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12 |r|
Show InChI InChI=1S/C21H21N5O2/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253150
PNG
(CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104382
PNG
(US8575186, 145)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H23N3O3S/c1-26-20-10-14-3-5-19(25-14)22(20)17-11-16(12-21(29-2)23(17)26)30(27,28)15-4-6-18-13(9-15)7-8-24-18/h4,6-9,11-12,14,19,24-25H,3,5,10H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104467
PNG
(US8575186, 230/231 | US8575186, 247)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1cc(C)c2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C24H25N3O3S/c1-14-13-27(20-7-5-4-6-17(14)20)31(28,29)16-11-18-23-19-9-8-15(25-19)10-21(23)26(2)24(18)22(12-16)30-3/h4-7,11-13,15,19,25H,8-10H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104331
PNG
(US8575186, 177 | US8575186, 178 | US8575186, 94/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104361
PNG
(US8575186, 124)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1cc(F)c2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20FN3O2S/c1-26-19-5-3-14(10-16(19)21-18-4-2-13(25-18)9-20(21)26)29(27,28)15-8-12-6-7-24-22(12)17(23)11-15/h3,5-8,10-11,13,18,24-25H,2,4,9H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.330n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50118098
PNG
((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...)
Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O
Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells


J Med Chem 45: 3972-83 (2002)


BindingDB Entry DOI: 10.7270/Q2862H6T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.350n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104477
PNG
(US8575186, 240/241 | US8575186, 257)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H23N3O3S/c1-25-20-11-15-7-8-18(24-15)22(20)17-12-16(13-21(29-2)23(17)25)30(27,28)26-10-9-14-5-3-4-6-19(14)26/h3-6,9-10,12-13,15,18,24H,7-8,11H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104371
PNG
(US8575186, 134/183/184 | US8575186, 199 | US857518...)
Show SMILES CN1C2CCC1c1c(C2)n(C)c2ccc(cc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |TLB:16:6:1:4.3,9:7:1:4.3|
Show InChI InChI=1S/C23H23N3O2S/c1-25-15-3-7-21(25)23-18-13-17(5-8-20(18)26(2)22(23)12-15)29(27,28)16-4-6-19-14(11-16)9-10-24-19/h4-6,8-11,13,15,21,24H,3,7,12H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50364981
PNG
(CHEMBL1950776)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104408
PNG
(US8575186, 171/172 | US8575186, 188)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1csc2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H20N2O2S2/c1-24-18-9-7-14(11-16(18)22-17-8-6-13(23-17)10-19(22)24)28(25,26)21-12-27-20-5-3-2-4-15(20)21/h2-5,7,9,11-13,17,23H,6,8,10H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM104331
PNG
(US8575186, 177 | US8575186, 178 | US8575186, 94/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.370n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50364980
PNG
(CHEMBL1950775)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H21N3O2S/c1-25-20-7-4-16(12-17(20)22-19-5-2-14(24-19)11-21(22)25)28(26,27)15-3-6-18-13(10-15)8-9-23-18/h3-4,6-10,12,14,19,23-24H,2,5,11H2,1H3
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0.370n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay


Bioorg Med Chem Lett 22: 1494-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.022
BindingDB Entry DOI: 10.7270/Q2RB753Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252735
PNG
(CHEMBL495084 | N-Cyclopropyl-6-methyl-7-(1-o-tolyl...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C26H22N4O/c1-15-5-3-4-6-20(15)24-21-12-8-17(13-18(21)14-27-29-24)23-16(2)7-11-22-25(23)31-30-26(22)28-19-9-10-19/h3-8,11-14,19H,9-10H2,1-2H3,(H,28,30)
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253149
PNG
(6-Chloro-N-isopropyl-7-(1-((S)-3-methylmorpholino)...)
Show SMILES CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C23H24ClN5O2/c1-13(2)26-22-18-6-7-19(24)20(21(18)31-28-22)15-4-5-17-16(10-15)11-25-27-23(17)29-8-9-30-12-14(29)3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,28)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50138823
PNG
(3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...)
Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand


J Med Chem 47: 519-29 (2004)


Article DOI: 10.1021/jm030197g
BindingDB Entry DOI: 10.7270/Q2FJ2G6D
More data for this
Ligand-Target Pair
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