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Compile Data Set for Download or QSAR

Found 131 hits from Cephalon Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352798
PNG
(CHEMBL1823402)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-22-20(24)10-9-19(21-22)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-2-4-16/h5-10,16,18H,2-4,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352798
PNG
(CHEMBL1823402)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-22-20(24)10-9-19(21-22)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-2-4-16/h5-10,16,18H,2-4,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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6n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080227
PNG
(CHEMBL305715 | N-((S)-1-Benzyl-2-{2-[5-(3-cyano-ph...)
Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(c1)C#N
Show InChI InChI=1S/C30H24Cl2N4O5S2/c31-22-10-5-11-23(32)27(22)29(38)36-24(17-19-6-2-1-3-7-19)28(37)30(39)34-14-15-35-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-33/h1-13,16,24,35H,14-15,17H2,(H,34,39)(H,36,38)/t24-/m0/s1
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8n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080220
PNG
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C32H35N5O8S3/c1-47(41,42)37-27(22-45-21-24-12-6-3-7-13-24)31(39)36-26(20-23-10-4-2-5-11-23)30(38)32(40)34-18-19-35-48(43,44)29-16-15-28(46-29)25-14-8-9-17-33-25/h2-17,26-27,35,37H,18-22H2,1H3,(H,34,40)(H,36,39)/t26-,27+/m0/s1
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10n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080217
PNG
(CHEMBL80867 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)
Show SMILES Fc1cccc(F)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C28H24F2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1
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14n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080225
PNG
(CHEMBL311512 | N-[(S)-2-(2-{5-[3-(Acetylamino-meth...)
Show SMILES CC(=O)NCc1cccc(c1)-c1ccc(s1)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C32H30Cl2N4O6S2/c1-20(39)36-19-22-9-5-10-23(17-22)27-13-14-28(45-27)46(43,44)37-16-15-35-32(42)30(40)26(18-21-7-3-2-4-8-21)38-31(41)29-24(33)11-6-12-25(29)34/h2-14,17,26,37H,15-16,18-19H2,1H3,(H,35,42)(H,36,39)(H,38,41)/t26-/m0/s1
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14n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080231
PNG
(CHEMBL312549 | N-((S)-1-Benzyl-2-{2-[5-(3-formyl-p...)
Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(C=O)c1
Show InChI InChI=1S/C30H25Cl2N3O6S2/c31-22-10-5-11-23(32)27(22)29(38)35-24(17-19-6-2-1-3-7-19)28(37)30(39)33-14-15-34-43(40,41)26-13-12-25(42-26)21-9-4-8-20(16-21)18-36/h1-13,16,18,24,34H,14-15,17H2,(H,33,39)(H,35,38)/t24-/m0/s1
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15n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352806
PNG
(CHEMBL1823411)
Show SMILES Fc1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C26H27FN4O2/c27-21-9-11-22(12-10-21)31-25(32)14-13-24(28-31)19-5-7-20(8-6-19)26(33)30-17-3-4-23(30)18-29-15-1-2-16-29/h5-14,23H,1-4,15-18H2/t23-/m0/s1
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16n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352807
PNG
(CHEMBL1823412)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C20H24N4O2/c25-19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2,(H,22,25)/t17-/m0/s1
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17n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080213
PNG
(CHEMBL311256 | N-((S)-1-Benzyl-2-{2-[5-(3-morpholi...)
Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C34H34Cl2N4O6S2/c35-26-10-5-11-27(36)31(26)33(42)39-28(21-23-6-2-1-3-7-23)32(41)34(43)37-14-15-38-48(44,45)30-13-12-29(47-30)25-9-4-8-24(20-25)22-40-16-18-46-19-17-40/h1-13,20,28,38H,14-19,21-22H2,(H,37,43)(H,39,42)/t28-/m0/s1
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21n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080222
PNG
(4-Methyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...)
Show SMILES CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C27H32N4O5S2/c1-19(2)11-13-24(32)31-22(18-20-8-4-3-5-9-20)26(33)27(34)29-16-17-30-38(35,36)25-14-12-23(37-25)21-10-6-7-15-28-21/h3-10,12,14-15,19,22,30H,11,13,16-18H2,1-2H3,(H,29,34)(H,31,32)/t22-/m0/s1
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21n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080223
PNG
(CHEMBL310826 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)
Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C28H24Cl2N4O5S2/c29-19-9-6-10-20(30)25(19)27(36)34-22(17-18-7-2-1-3-8-18)26(35)28(37)32-15-16-33-41(38,39)24-13-12-23(40-24)21-11-4-5-14-31-21/h1-14,22,33H,15-17H2,(H,32,37)(H,34,36)/t22-/m0/s1
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26n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080229
PNG
(CHEMBL404598 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)
Show SMILES COc1ccc(Cl)c(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C29H27ClN4O6S2/c1-40-20-10-11-22(30)21(18-20)28(36)34-24(17-19-7-3-2-4-8-19)27(35)29(37)32-15-16-33-42(38,39)26-13-12-25(41-26)23-9-5-6-14-31-23/h2-14,18,24,33H,15-17H2,1H3,(H,32,37)(H,34,36)/t24-/m0/s1
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46n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352807
PNG
(CHEMBL1823412)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C20H24N4O2/c25-19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2,(H,22,25)/t17-/m0/s1
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46n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080221
PNG
(CHEMBL306616 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)
Show SMILES Clc1ccc(Cl)c(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C28H24Cl2N4O5S2/c29-19-9-10-21(30)20(17-19)27(36)34-23(16-18-6-2-1-3-7-18)26(35)28(37)32-14-15-33-41(38,39)25-12-11-24(40-25)22-8-4-5-13-31-22/h1-13,17,23,33H,14-16H2,(H,32,37)(H,34,36)/t23-/m0/s1
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49n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080219
PNG
((S)-3-[2-(2,6-Dichloro-pyridin-3-yl)-acetylamino]-...)
Show SMILES Clc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(=O)NCCNS(=O)(=O)c2ccc(s2)-c2ccccn2)c(Cl)n1
Show InChI InChI=1S/C28H25Cl2N5O5S2/c29-23-11-9-19(27(30)35-23)17-24(36)34-21(16-18-6-2-1-3-7-18)26(37)28(38)32-14-15-33-42(39,40)25-12-10-22(41-25)20-8-4-5-13-31-20/h1-13,21,33H,14-17H2,(H,32,38)(H,34,36)/t21-/m0/s1
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57n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080226
PNG
(CHEMBL311714 | N-((S)-1-Benzyl-2-oxo-2-{2-[4-(4-py...)
Show SMILES Clc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(CN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C35H36Cl2N6O5S/c36-28-9-6-10-29(37)32(28)34(45)41-30(23-25-7-2-1-3-8-25)33(44)35(46)39-17-18-40-49(47,48)27-14-12-26(13-15-27)24-42-19-21-43(22-20-42)31-11-4-5-16-38-31/h1-16,30,40H,17-24H2,(H,39,46)(H,41,45)/t30-/m0/s1
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59n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080224
PNG
(4-Phenyl-pentanoic acid {(S)-1-benzyl-2-oxo-2-[2-(...)
Show SMILES CC(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C32H34N4O5S2/c1-23(25-12-6-3-7-13-25)15-17-29(37)36-27(22-24-10-4-2-5-11-24)31(38)32(39)34-20-21-35-43(40,41)30-18-16-28(42-30)26-14-8-9-19-33-26/h2-14,16,18-19,23,27,35H,15,17,20-22H2,1H3,(H,34,39)(H,36,37)/t23?,27-/m0/s1
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62n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080211
PNG
(CHEMBL309639 | N-((S)-2-{2-[4-(4-Acetyl-piperazin-...)
Show SMILES CC(=O)N1CCN(Cc2ccc(cc2)S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2c(Cl)cccc2Cl)CC1
Show InChI InChI=1S/C32H35Cl2N5O6S/c1-22(40)39-18-16-38(17-19-39)21-24-10-12-25(13-11-24)46(44,45)36-15-14-35-32(43)30(41)28(20-23-6-3-2-4-7-23)37-31(42)29-26(33)8-5-9-27(29)34/h2-13,28,36H,14-21H2,1H3,(H,35,43)(H,37,42)/t28-/m0/s1
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71n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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84n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352806
PNG
(CHEMBL1823411)
Show SMILES Fc1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C26H27FN4O2/c27-21-9-11-22(12-10-21)31-25(32)14-13-24(28-31)19-5-7-20(8-6-19)26(33)30-17-3-4-23(30)18-29-15-1-2-16-29/h5-14,23H,1-4,15-18H2/t23-/m0/s1
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92n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352801
PNG
(CHEMBL1823405)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
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93n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352802
PNG
(CHEMBL1823406)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065409
PNG
((S)-3-((R)-3-Benzyloxy-2-methanesulfonylamino-prop...)
Show SMILES CCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(C)(=O)=O
Show InChI InChI=1S/C23H29N3O6S/c1-3-24-23(29)21(27)19(14-17-10-6-4-7-11-17)25-22(28)20(26-33(2,30)31)16-32-15-18-12-8-5-9-13-18/h4-13,19-20,26H,3,14-16H2,1-2H3,(H,24,29)(H,25,28)/t19-,20+/m0/s1
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130n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080216
PNG
(CHEMBL76036 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)
Show SMILES Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C30H30N4O5S2/c1-20-9-8-10-21(2)27(20)29(36)34-24(19-22-11-4-3-5-12-22)28(35)30(37)32-17-18-33-41(38,39)26-15-14-25(40-26)23-13-6-7-16-31-23/h3-16,24,33H,17-19H2,1-2H3,(H,32,37)(H,34,36)/t24-/m0/s1
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130n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352804
PNG
(CHEMBL1823408)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3
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134n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352805
PNG
(CHEMBL1823409)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3
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167n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352805
PNG
(CHEMBL1823409)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3
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185n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352804
PNG
(CHEMBL1823408)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3
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186n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352801
PNG
(CHEMBL1823405)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
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255n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352803
PNG
(CHEMBL1823407)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C18H22N4O/c1-20-18(23)9-8-17(19-20)14-4-6-15(7-5-14)22-12-11-21-10-2-3-16(21)13-22/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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308n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352802
PNG
(CHEMBL1823406)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3
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419n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080228
PNG
((S)-3-(3-Methyl-butyrylamino)-2-oxo-4-phenyl-N-[2-...)
Show SMILES CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C26H30N4O5S2/c1-18(2)16-23(31)30-21(17-19-8-4-3-5-9-19)25(32)26(33)28-14-15-29-37(34,35)24-12-11-22(36-24)20-10-6-7-13-27-20/h3-13,18,21,29H,14-17H2,1-2H3,(H,28,33)(H,30,31)/t21-/m0/s1
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420n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080230
PNG
(CHEMBL431198 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyrid...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C30H24F6N4O5S2/c31-29(32,33)20-15-19(16-21(17-20)30(34,35)36)27(42)40-23(14-18-6-2-1-3-7-18)26(41)28(43)38-12-13-39-47(44,45)25-10-9-24(46-25)22-8-4-5-11-37-22/h1-11,15-17,23,39H,12-14H2,(H,38,43)(H,40,42)/t23-/m0/s1
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430n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352796
PNG
(CHEMBL1823404)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080215
PNG
(CHEMBL76302 | N-{(S)-1-Benzyl-2-oxo-2-[2-(5-pyridi...)
Show SMILES O=C(NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C28H26N4O5S2/c33-26(23(19-20-9-3-1-4-10-20)32-27(34)21-11-5-2-6-12-21)28(35)30-17-18-31-39(36,37)25-15-14-24(38-25)22-13-7-8-16-29-22/h1-16,23,31H,17-19H2,(H,30,35)(H,32,34)/t23-/m0/s1
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570n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352803
PNG
(CHEMBL1823407)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C18H22N4O/c1-20-18(23)9-8-17(19-20)14-4-6-15(7-5-14)22-12-11-21-10-2-3-16(21)13-22/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352797
PNG
(CHEMBL1821744)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C19H22N4O2/c1-21-18(24)9-8-17(20-21)14-4-6-15(7-5-14)19(25)23-12-11-22-10-2-3-16(22)13-23/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352797
PNG
(CHEMBL1821744)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C19H22N4O2/c1-21-18(24)9-8-17(20-21)14-4-6-15(7-5-14)19(25)23-12-11-22-10-2-3-16(22)13-23/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080214
PNG
(Benzo[1,3]dioxole-5-carboxylic acid {(S)-1-benzyl-...)
Show SMILES O=C(NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H26N4O7S2/c34-27(29(36)31-14-15-32-42(37,38)26-12-11-25(41-26)21-8-4-5-13-30-21)22(16-19-6-2-1-3-7-19)33-28(35)20-9-10-23-24(17-20)40-18-39-23/h1-13,17,22,32H,14-16,18H2,(H,31,36)(H,33,35)/t22-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human calpain I


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352796
PNG
(CHEMBL1823404)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080218
PNG
((S)-3-Isobutyrylamino-2-oxo-4-phenyl-N-[2-(5-pyrid...)
Show SMILES CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C25H28N4O5S2/c1-17(2)24(31)29-20(16-18-8-4-3-5-9-18)23(30)25(32)27-14-15-28-36(33,34)22-12-11-21(35-22)19-10-6-7-13-26-19/h3-13,17,20,28H,14-16H2,1-2H3,(H,27,32)(H,29,31)/t20-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50080212
PNG
((S)-2-Oxo-4-phenyl-3-(4-phenyl-butyrylamino)-N-[2-...)
Show SMILES O=C(CCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C31H32N4O5S2/c36-28(16-9-14-23-10-3-1-4-11-23)35-26(22-24-12-5-2-6-13-24)30(37)31(38)33-20-21-34-42(39,40)29-18-17-27(41-29)25-15-7-8-19-32-25/h1-8,10-13,15,17-19,26,34H,9,14,16,20-22H2,(H,33,38)(H,35,36)/t26-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 9: 2371-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00392-3
BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50203095
PNG
(4-((4-bromo-5-methoxy-1-methyl-1H-indol-3-yl)methy...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)NN=C3c3cnns3)c2c1Br
Show InChI InChI=1S/C16H12BrN5O2S/c1-22-7-8(13-10(22)3-4-11(24-2)14(13)17)5-9-15(19-20-16(9)23)12-6-18-21-25-12/h3-7H,1-2H3,(H,20,23)/b9-5-
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n/an/a 6n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic VEGFR2 expressed in baculovirus after 15 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 17: 1793-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.054
BindingDB Entry DOI: 10.7270/Q20001SB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50203075
PNG
(4-((4-bromo-1-methyl-1H-indol-3-yl)methylene)-3-(1...)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2cnns2)c2c(Br)cccc12
Show InChI InChI=1S/C15H10BrN5OS/c1-21-7-8(13-10(16)3-2-4-11(13)21)5-9-14(18-19-15(9)22)12-6-17-20-23-12/h2-7H,1H3,(H,19,22)/b9-5-
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n/an/a 8n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic VEGFR2 expressed in baculovirus after 15 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 17: 1793-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.054
BindingDB Entry DOI: 10.7270/Q20001SB
More data for this
Ligand-Target Pair
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