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Compile Data Set for Download or QSAR

Found 1209 hits with Last Name = 'ator' and Initial = 'ma'   
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
Caspase-1


(Homo sapiens (Human))
BDBM50058526
PNG
((S)-3-{[(1S,9S)-9-(4-Carboxymethoxy-benzoylamino)-...)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H26N4O10/c28-11-14(10-19(30)31)24-22(35)17-2-1-9-26-18(29)8-7-16(23(36)27(17)26)25-21(34)13-3-5-15(6-4-13)37-12-20(32)33/h3-6,11,14,16-17H,1-2,7-10,12H2,(H,24,35)(H,25,34)(H,30,31)(H,32,33)/t14-,16-,17-/m0/s1
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1n/an/an/an/an/an/an/an/a



Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)


J Med Chem 40: 1941-6 (1997)


Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50058530
PNG
((S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dio...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O
Show InChI InChI=1S/C21H23FN4O7/c22-14-5-2-1-4-13(14)19(31)24-15-7-8-17(28)25-9-3-6-16(26(25)21(15)33)20(32)23-12(11-27)10-18(29)30/h1-2,4-5,11-12,15-16H,3,6-10H2,(H,23,32)(H,24,31)(H,29,30)/t12-,15-,16-/m0/s1
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1n/an/an/an/an/an/an/an/a



Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)


J Med Chem 40: 1941-6 (1997)


Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
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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1.40n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human H3 receptor


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to human NK3 receptor by radioligand binding assay


Bioorg Med Chem Lett 21: 1991-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065404
PNG
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O
Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1
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2n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350030
PNG
(CHEMBL1813060)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat cortical membrane


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350028
PNG
(CHEMBL1813058)
Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065398
PNG
((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O
Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406621
PNG
(CHEMBL9820)
Show SMILES C[C@H](CC[S+](C)C(C)C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C27H47OS/c1-18(2)29(6)16-13-19(3)23-9-10-24-22-8-7-20-17-21(28)11-14-26(20,4)25(22)12-15-27(23,24)5/h7,18-19,21-25,28H,8-17H2,1-6H3/q+1/t19-,21+,22?,23?,24?,25?,26+,27-,29?/m1/s1
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4n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase


J Med Chem 35: 100-6 (1992)


BindingDB Entry DOI: 10.7270/Q2C82BHD
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50065404
PNG
((R)-N-((S)-5-Benzenesulfonylamino-1-formyl-pentyl)...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O
Show InChI InChI=1S/C23H31N3O7S2/c1-34(29,30)26-22(18-33-17-19-10-4-2-5-11-19)23(28)25-20(16-27)12-8-9-15-24-35(31,32)21-13-6-3-7-14-21/h2-7,10-11,13-14,16,20,22,24,26H,8-9,12,15,17-18H2,1H3,(H,25,28)/t20-,22+/m0/s1
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4n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin B receptor in human liver


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350029
PNG
(CHEMBL1813059)
Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50065398
PNG
((R)-3-Benzyloxy-N-[(S)-1-(4-benzyloxy-benzyl)-2-ox...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O
Show InChI InChI=1S/C27H30N2O6S/c1-36(32,33)29-26(20-34-18-22-8-4-2-5-9-22)27(31)28-24(17-30)16-21-12-14-25(15-13-21)35-19-23-10-6-3-7-11-23/h2-15,17,24,26,29H,16,18-20H2,1H3,(H,28,31)/t24-,26+/m0/s1
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5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50058528
PNG
((S)-3-[((1S,9S)-9-Benzoylamino-6,10-dioxo-octahydr...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1)C=O
Show InChI InChI=1S/C21H24N4O7/c26-12-14(11-18(28)29)22-20(31)16-7-4-10-24-17(27)9-8-15(21(32)25(16)24)23-19(30)13-5-2-1-3-6-13/h1-3,5-6,12,14-16H,4,7-11H2,(H,22,31)(H,23,30)(H,28,29)/t14-,15-,16-/m0/s1
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5n/an/an/an/an/an/an/an/a



Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)


J Med Chem 40: 1941-6 (1997)


Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50065407
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
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5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065401
PNG
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)
Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
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6n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50058527
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylam...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C14H23N3O7/c1-6(2)11(16-8(4)18)13(22)15-7(3)12(21)17-9(14(23)24)5-10(19)20/h6-7,9,11H,5H2,1-4H3,(H,15,22)(H,16,18)(H,17,21)(H,19,20)(H,23,24)/t7-,9-,11-/m0/s1
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6n/an/an/an/an/an/an/an/a



Sanofi Winthrop Inc.

Curated by ChEMBL


Assay Description
Reversible Inhibition constants of the compound against IL-1 beta converting enzyme (ICE)


J Med Chem 40: 1941-6 (1997)


Article DOI: 10.1021/jm9701637
BindingDB Entry DOI: 10.7270/Q2CC0ZSQ
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 |r|
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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6.30n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350031
PNG
(CHEMBL1813061)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C25H29N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-15,20H,5-7,16-19H2,1H3/t20-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50065401
PNG
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzylsulfanyl-...)
Show SMILES CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O4S2/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
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7n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406617
PNG
(CHEMBL276388)
Show SMILES C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 |r,c:12|
Show InChI InChI=1S/C27H46N2O/c1-17(7-10-23(28)29)18-11-15-27(6)20-8-9-21-24(2,3)22(30)13-14-25(21,4)19(20)12-16-26(18,27)5/h17-18,21-22,30H,7-16H2,1-6H3,(H3,28,29)/t17-,18?,21?,22+,25-,26-,27+/m1/s1
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7n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase


J Med Chem 35: 100-6 (1992)


BindingDB Entry DOI: 10.7270/Q2C82BHD
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50065399
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)
Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1
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7n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Euroscreen SA

Curated by ChEMBL


Assay Description
Binding affinity to human NK3 receptor by radioligand binding assay


Bioorg Med Chem Lett 21: 1991-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350029
PNG
(CHEMBL1813059)
Show SMILES CC(C)n1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C21H29N3O2/c1-16(2)24-21(25)12-11-20(22-24)18-7-9-19(10-8-18)26-15-5-14-23-13-4-6-17(23)3/h7-12,16-17H,4-6,13-15H2,1-3H3/t17-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350030
PNG
(CHEMBL1813060)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065407
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/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 receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50014577
PNG
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/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 receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
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)


BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350026
PNG
(CHEMBL1813055)
Show SMILES O=c1ccc(n[nH]1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22)
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8.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065396
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...)
Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065411
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)
Show SMILES CS(=O)(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c1-25(23,24)20-17(15-10-6-3-7-11-15)18(22)19-16(13-21)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,19,22)/t16-,17+/m0/s1
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065399
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)
Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065412
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-(th...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C23H24N2O5S2/c26-15-20(14-18-8-3-1-4-9-18)24-23(27)21(17-30-16-19-10-5-2-6-11-19)25-32(28,29)22-12-7-13-31-22/h1-13,15,20-21,25H,14,16-17H2,(H,24,27)/t20-,21+/m0/s1
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50065396
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-eth...)
Show SMILES CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H26N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,19-20,23H,2,13,15-16H2,1H3,(H,22,25)/t19-,20+/m0/s1
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9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350033
PNG
(CHEMBL1813063)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C19H25N3O3/c1-21-19(24)10-9-18(20-21)15-5-7-17(8-6-15)25-13-3-12-22-11-2-4-16(22)14-23/h5-10,16,23H,2-4,11-14H2,1H3/t16-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065405
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-(1H-indol-3-yl)...)
Show SMILES CS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H23N3O4S/c1-29(27,28)24-20(12-16-13-22-19-10-6-5-9-18(16)19)21(26)23-17(14-25)11-15-7-3-2-4-8-15/h2-10,13-14,17,20,22,24H,11-12H2,1H3,(H,23,26)/t17-,20+/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 receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
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)


BindingDB Entry DOI: 10.7270/Q2BK1BHT
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065403
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)
Show SMILES CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C19H22N2O4S/c1-26(24,25)21-18(13-16-10-6-3-7-11-16)19(23)20-17(14-22)12-15-8-4-2-5-9-15/h2-11,14,17-18,21H,12-13H2,1H3,(H,20,23)/t17-,18+/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065408
PNG
((S)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)
Show SMILES CS(=O)(=O)N[C@H](CS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O6S2/c1-29(25,26)22-19(15-30(27,28)14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50065400
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)
Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain-II receptor in porcine kidney


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065400
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-2-methanesulfonyl...)
Show SMILES CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Calpain-I receptor


J Med Chem 41: 2663-6 (1998)


Article DOI: 10.1021/jm980035y
BindingDB Entry DOI: 10.7270/Q2S46SNF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350028
PNG
(CHEMBL1813058)
Show SMILES CCn1nc(ccc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C20H27N3O2/c1-3-23-20(24)12-11-19(21-23)17-7-9-18(10-8-17)25-15-5-14-22-13-4-6-16(22)2/h7-12,16H,3-6,13-15H2,1-2H3/t16-/m1/s1
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11n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
7-dehydrocholesterol reductase


(Rattus norvegicus)
BDBM50406618
PNG
(CHEMBL9875)
Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6](-[#7])=[#7+](/[#6])-[#6])-[#6]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8])C([#6])([#6])[#6]1-[#6]-[#6]-3 |c:14|
Show InChI InChI=1S/C29H50N2O/c1-19(9-12-25(30)31(7)8)20-13-17-29(6)22-10-11-23-26(2,3)24(32)15-16-27(23,4)21(22)14-18-28(20,29)5/h19-20,23-24,30,32H,9-18H2,1-8H3/p+1/t19-,20?,23?,24+,27-,28-,29+/m1/s1
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12n/an/an/an/an/an/an/an/a



Smith Kline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of delta24-sterol reductase


J Med Chem 35: 100-6 (1992)


BindingDB Entry DOI: 10.7270/Q2C82BHD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350031
PNG
(CHEMBL1813061)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(Cc2ccccc2)n1 |r|
Show InChI InChI=1S/C25H29N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-15,20H,5-7,16-19H2,1H3/t20-/m1/s1
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12n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
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