Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50018199 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | MMDB
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| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406038
(CHEMBL5280065)Show SMILES FC(F)(F)c1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C22H25F3N6/c23-22(24,25)17-8-6-16(7-9-17)19(20-5-1-2-11-28-20)10-13-30-21(26)29-12-3-4-18-14-27-15-31-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,27,31)(H3,26,29,30) | MMDB
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| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | UniProtKB/SwissProt
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| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | MMDB
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| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
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| PDB
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406037
(CHEMBL5268446)Show SMILES NC(NCCCc1cnc[nH]1)=NCC(c1ccccc1)c1ccccn1 |w:11.12| Show InChI InChI=1S/C20H24N6/c21-20(24-12-6-9-17-13-22-15-26-17)25-14-18(16-7-2-1-3-8-16)19-10-4-5-11-23-19/h1-5,7-8,10-11,13,15,18H,6,9,12,14H2,(H,22,26)(H3,21,24,25) | MMDB
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| | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | UniProtKB/SwissProt
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| | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406044
(CHEMBL5284034)Show SMILES Cc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C22H28N6/c1-17-7-9-18(10-8-17)20(21-6-2-3-12-25-21)11-14-27-22(23)26-13-4-5-19-15-24-16-28-19/h2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,24,28)(H3,23,26,27) | MMDB
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| | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406021
(CHEMBL5288040)Show InChI InChI=1S/C18H25N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-7,9-10,23H,5,8H2,1-4H3,(H4,19,20,21,22) | MMDB
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| | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406051
(CHEMBL5283204)Show SMILES CN(CCC(c1ccc(F)cc1)c1ccccn1)C(=N)NCCCc1cnc[nH]1 Show InChI InChI=1S/C22H27FN6/c1-29(22(24)27-13-4-5-19-15-25-16-28-19)14-11-20(21-6-2-3-12-26-21)17-7-9-18(23)10-8-17/h2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H2,24,27)(H,25,28) | MMDB
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| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406032
(CHEMBL5269960)Show InChI InChI=1S/C17H22N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h3,7-8,10,22H,1,4-6,9H2,2H3,(H4,18,19,20,21) | MMDB
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| | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406043
(CHEMBL5289255)Show SMILES Nc1cccc(c1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H27N7/c22-17-6-3-5-16(13-17)19(20-8-1-2-10-25-20)9-12-27-21(23)26-11-4-7-18-14-24-15-28-18/h1-3,5-6,8,10,13-15,19H,4,7,9,11-12,22H2,(H,24,28)(H3,23,26,27) | MMDB
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| | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406039
(CHEMBL5282067)Show InChI InChI=1S/C20H25N7/c21-20(25-12-5-6-16-14-22-15-27-16)26-13-9-17(18-7-1-3-10-23-18)19-8-2-4-11-24-19/h1-4,7-8,10-11,14-15,17H,5-6,9,12-13H2,(H,22,27)(H3,21,25,26) | MMDB
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| | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406047
(CHEMBL5275640)Show SMILES Fc1ccc(cc1)C(CCCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C22H27FN6/c23-18-10-8-17(9-11-18)20(21-7-1-2-12-26-21)6-4-14-28-22(24)27-13-3-5-19-15-25-16-29-19/h1-2,7-12,15-16,20H,3-6,13-14H2,(H,25,29)(H3,24,27,28) | MMDB
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| | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406020
(CHEMBL5270654)Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:19| Show InChI InChI=1S/C19H25N5O/c1-5-25-15-8-12(6-13-10-22-18(21)23-17(13)20)7-14-11(2)9-19(3,4)24-16(14)15/h7-10,24H,5-6H2,1-4H3,(H4,20,21,22,23) | MMDB
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| | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406054
(CHEMBL5271132)Show SMILES Fc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1cccnc1 Show InChI InChI=1S/C21H25FN6/c22-18-7-5-16(6-8-18)20(17-3-1-10-24-13-17)9-12-27-21(23)26-11-2-4-19-14-25-15-28-19/h1,3,5-8,10,13-15,20H,2,4,9,11-12H2,(H,25,28)(H3,23,26,27) | UniProtKB/SwissProt
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| | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406042
(CHEMBL5280795)Show SMILES Clc1ccc(cc1Cl)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24Cl2N6/c22-18-7-6-15(12-19(18)23)17(20-5-1-2-9-26-20)8-11-28-21(24)27-10-3-4-16-13-25-14-29-16/h1-2,5-7,9,12-14,17H,3-4,8,10-11H2,(H,25,29)(H3,24,27,28) | MMDB
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| | n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406017
(CHEMBL5274269)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)N(CCOC(C)=O)c12 |c:18| Show InChI InChI=1S/C22H29N5O3/c1-13-11-22(3,4)27(6-7-30-14(2)28)19-17(13)9-15(10-18(19)29-5)8-16-12-25-21(24)26-20(16)23/h9-12H,6-8H2,1-5H3,(H4,23,24,25,26) | MMDB
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| | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406019
(CHEMBL5288873)Show SMILES CC1=CC(C)(C)Nc2c(C)cc(Cc3cnc(N)nc3N)cc12 |t:1| Show InChI InChI=1S/C18H23N5/c1-10-5-12(6-13-9-21-17(20)22-16(13)19)7-14-11(2)8-18(3,4)23-15(10)14/h5,7-9,23H,6H2,1-4H3,(H4,19,20,21,22) | MMDB
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| | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406060
(CHEMBL5278887)Show InChI InChI=1S/C21H26N6/c22-21(25-13-6-9-18-15-23-16-27-18)26-14-11-19(17-7-2-1-3-8-17)20-10-4-5-12-24-20/h1-5,7-8,10,12,15-16,19H,6,9,11,13-14H2,(H,23,27)(H3,22,25,26) | MMDB
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| | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406048
(CHEMBL5265953)Show SMILES Fc1ccc(cc1)C(=CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 |w:8.9| Show InChI InChI=1S/C21H23FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-11,14-15H,3-4,12-13H2,(H,24,28)(H3,23,26,27) | MMDB
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| | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406053
(CHEMBL5281121)Show SMILES Clc1cc(Cl)cc(c1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24Cl2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28) | MMDB
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Similars
| | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406055
(CHEMBL5270330)Show SMILES Fc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)Cc1ccccc1 Show InChI InChI=1S/C23H28FN5/c24-21-10-8-19(9-11-21)20(15-18-5-2-1-3-6-18)12-14-28-23(25)27-13-4-7-22-16-26-17-29-22/h1-3,5-6,8-11,16-17,20H,4,7,12-15H2,(H,26,29)(H3,25,27,28) | MMDB
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Similars
| | n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406061
(CHEMBL5283091)Show SMILES Fc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C22H26FN5/c23-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)12-14-27-22(24)26-13-4-7-20-15-25-16-28-20/h1-3,5-6,8-11,15-16,21H,4,7,12-14H2,(H,25,28)(H3,24,26,27) | MMDB
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Similars
| | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406042
(CHEMBL5280795)Show SMILES Clc1ccc(cc1Cl)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24Cl2N6/c22-18-7-6-15(12-19(18)23)17(20-5-1-2-9-26-20)8-11-28-21(24)27-10-3-4-16-13-25-14-29-16/h1-2,5-7,9,12-14,17H,3-4,8,10-11H2,(H,25,29)(H3,24,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against rat liver dihydrofolate reductase |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406052
(CHEMBL5279307)Show InChI InChI=1S/C21H25FN6/c22-19-8-2-1-7-17(19)18(20-9-3-4-11-25-20)10-13-27-21(23)26-12-5-6-16-14-24-15-28-16/h1-4,7-9,11,14-15,18H,5-6,10,12-13H2,(H,24,28)(H3,23,26,27) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406029
(CHEMBL5284702)Show InChI InChI=1S/C17H24N4O/c1-4-6-13-8-11(7-12(5-2)15(13)22-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406050
(CHEMBL5268619)Show SMILES Clc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H25ClN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406045
(CHEMBL5266623)Show SMILES Clc1ccccc1C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H25ClN6/c22-19-8-2-1-7-17(19)18(20-9-3-4-11-25-20)10-13-27-21(23)26-12-5-6-16-14-24-15-28-16/h1-4,7-9,11,14-15,18H,5-6,10,12-13H2,(H,24,28)(H3,23,26,27) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406039
(CHEMBL5282067)Show InChI InChI=1S/C20H25N7/c21-20(25-12-5-6-16-14-22-15-27-16)26-13-9-17(18-7-1-3-10-23-18)19-8-2-4-11-24-19/h1-4,7-8,10-11,14-15,17H,5-6,9,12-13H2,(H,22,27)(H3,21,25,26) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 3.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406044
(CHEMBL5284034)Show SMILES Cc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C22H28N6/c1-17-7-9-18(10-8-17)20(21-6-2-3-12-25-21)11-14-27-22(23)26-13-4-5-19-15-24-16-28-19/h2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,24,28)(H3,23,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 3.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406029
(CHEMBL5284702)Show InChI InChI=1S/C17H24N4O/c1-4-6-13-8-11(7-12(5-2)15(13)22-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21) | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | PDB
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MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406055
(CHEMBL5270330)Show SMILES Fc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)Cc1ccccc1 Show InChI InChI=1S/C23H28FN5/c24-21-10-8-19(9-11-21)20(15-18-5-2-1-3-6-18)12-14-28-23(25)27-13-4-7-22-16-26-17-29-22/h1-3,5-6,8-11,16-17,20H,4,7,12-15H2,(H,26,29)(H3,25,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 5.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406061
(CHEMBL5283091)Show SMILES Fc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C22H26FN5/c23-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)12-14-27-22(24)26-13-4-7-20-15-25-16-28-20/h1-3,5-6,8-11,15-16,21H,4,7,12-14H2,(H,25,28)(H3,24,26,27) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 6.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406056
(CHEMBL5284274)Show SMILES Fc1ccc(cc1F)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24F2N6/c22-18-7-6-15(12-19(18)23)17(20-5-1-2-9-26-20)8-11-28-21(24)27-10-3-4-16-13-25-14-29-16/h1-2,5-7,9,12-14,17H,3-4,8,10-11H2,(H,25,29)(H3,24,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 6.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound was evaluated in vitro inhibitory activity against histamine H2 receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406053
(CHEMBL5281121)Show SMILES Clc1cc(Cl)cc(c1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24Cl2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 6.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406040
(CHEMBL5270279)Show SMILES Clc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccc1 Show InChI InChI=1S/C22H26ClN5/c23-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)12-14-27-22(24)26-13-4-7-20-15-25-16-28-20/h1-3,5-6,8-11,15-16,21H,4,7,12-14H2,(H,25,28)(H3,24,26,27) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406021
(CHEMBL5288040)Show InChI InChI=1S/C18H25N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-7,9-10,23H,5,8H2,1-4H3,(H4,19,20,21,22) | UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 6.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406056
(CHEMBL5284274)Show SMILES Fc1ccc(cc1F)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24F2N6/c22-18-7-6-15(12-19(18)23)17(20-5-1-2-9-26-20)8-11-28-21(24)27-10-3-4-16-13-25-14-29-16/h1-2,5-7,9,12-14,17H,3-4,8,10-11H2,(H,25,29)(H3,24,27,28) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 7.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406055
(CHEMBL5270330)Show SMILES Fc1ccc(cc1)C(CCNC(=N)NCCCc1cnc[nH]1)Cc1ccccc1 Show InChI InChI=1S/C23H28FN5/c24-21-10-8-19(9-11-21)20(15-18-5-2-1-3-6-18)12-14-28-23(25)27-13-4-7-22-16-26-17-29-22/h1-3,5-6,8-11,16-17,20H,4,7,12-15H2,(H,26,29)(H3,25,27,28) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 7.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406045
(CHEMBL5266623)Show SMILES Clc1ccccc1C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H25ClN6/c22-19-8-2-1-7-17(19)18(20-9-3-4-11-25-20)10-13-27-21(23)26-12-5-6-16-14-24-15-28-16/h1-4,7-9,11,14-15,18H,5-6,10,12-13H2,(H,24,28)(H3,23,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 7.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406032
(CHEMBL5269960)Show InChI InChI=1S/C17H22N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h3,7-8,10,22H,1,4-6,9H2,2H3,(H4,18,19,20,21) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 8.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406053
(CHEMBL5281121)Show SMILES Clc1cc(Cl)cc(c1)C(CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24Cl2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 8.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406047
(CHEMBL5275640)Show SMILES Fc1ccc(cc1)C(CCCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C22H27FN6/c23-18-10-8-17(9-11-18)20(21-7-1-2-12-26-21)6-4-14-28-22(24)27-13-3-5-19-15-25-16-29-19/h1-2,7-12,15-16,20H,3-6,13-14H2,(H,25,29)(H3,24,27,28) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 9.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50406048
(CHEMBL5265953)Show SMILES Fc1ccc(cc1)C(=CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 |w:8.9| Show InChI InChI=1S/C21H23FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-11,14-15H,3-4,12-13H2,(H,24,28)(H3,23,26,27) | PDB
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 9.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406059
(CHEMBL5274776)Show SMILES OC(CCNC(=N)NCCCc1cnc[nH]1)(c1ccc(F)cc1)c1ccccn1 Show InChI InChI=1S/C21H25FN6O/c22-17-8-6-16(7-9-17)21(29,19-5-1-2-11-25-19)10-13-27-20(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,29H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 9.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50406048
(CHEMBL5265953)Show SMILES Fc1ccc(cc1)C(=CCNC(=N)NCCCc1cnc[nH]1)c1ccccn1 |w:8.9| Show InChI InChI=1S/C21H23FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-11,14-15H,3-4,12-13H2,(H,24,28)(H3,23,26,27) | UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | 9.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406041
(CHEMBL5274243)Show SMILES [O-][N+](=O)c1cccc(c1)C(CC[N-]C(=[NH2+])NCCCc1cnc[nH]1)c1ccccn1 Show InChI InChI=1S/C21H24N7O2/c22-21(25-11-4-6-17-14-23-15-27-17)26-12-9-19(20-8-1-2-10-24-20)16-5-3-7-18(13-16)28(29)30/h1-3,5,7-8,10,13-15,19H,4,6,9,11-12H2,(H3-,22,23,25,26,27)/q-1/p+1 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
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More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse)) | BDBM50406046
(CHEMBL5268370)Show InChI InChI=1S/C15H17FN4/c16-12-6-4-11(5-7-12)13(8-10-20-15(17)18)14-3-1-2-9-19-14/h1-7,9,13H,8,10H2,(H4,17,18,20) | MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
In vitro for inhibition of rat HMG-CoA reductase. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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