Found 24 hits of Enzyme Inhibition Constant Data 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 |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301397
(CHEMBL571390 | [1-(4-Methyl-benzyl)-piperidin-4-yl...)Show SMILES Cc1ccc(CN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29NO/c1-21-12-14-22(15-13-21)20-27-18-16-25(17-19-27)26(28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25,28H,16-20H2,1H3 | PDB
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301394
(CHEMBL568892 | methyl 4-(4-(4-(hydroxydiphenylmeth...)Show SMILES COC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H35NO3/c1-34-29(32)25-17-15-24(16-18-25)10-8-9-21-31-22-19-28(20-23-31)30(33,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,33H,8-10,19-23H2,1H3 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22874
(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) | PDB
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Article
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301391
(1-[4-(4-methylphenyl)butyl]-alpha,alpha-diphenyl-4...)Show SMILES Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50017376
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301393
(1-[4-(4-methylcyclohexyl)butyl]alpha,alpha-dipheny...)Show SMILES CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)| Show InChI InChI=1S/C29H41NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-14,24-25,28,31H,8-10,15-23H2,1H3 | PDB
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301398
(CHEMBL571391 | Diphenyl-[1-(2-p-tolyl-ethyl)-piper...)Show SMILES Cc1ccc(CCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C27H31NO/c1-22-12-14-23(15-13-22)16-19-28-20-17-26(18-21-28)27(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,29H,16-21H2,1H3 | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301396
(CHEMBL572034 | Phenyl-[1-(4-p-tolyl-butyl)-piperid...)Show InChI InChI=1S/C23H31NO/c1-19-10-12-20(13-11-19)7-5-6-16-24-17-14-22(15-18-24)23(25)21-8-3-2-4-9-21/h2-4,8-13,22-23,25H,5-7,14-18H2,1H3 | PDB
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| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301399
(CHEMBL570695 | Diphenyl-[1-(3-p-tolyl-propyl)-pipe...)Show SMILES Cc1ccc(CCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H33NO/c1-23-14-16-24(17-15-23)9-8-20-29-21-18-27(19-22-29)28(30,25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-17,27,30H,8-9,18-22H2,1H3 | PDB
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301392
(4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]bu...)Show SMILES OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32) | PDB
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| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50017724
(CHEMBL127508 | Diphenyl-piperidin-4-yl-methanol | ...)Show InChI InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2 | PDB
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| 659 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50301395
(1-(4-p-Tolyl-butyl)-piperidine | CHEMBL571073)Show InChI InChI=1S/C16H25N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h8-11H,2-7,12-14H2,1H3 | PDB
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by betaplate scintillation counting |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22874
(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) | PDB
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| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50017376
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 | PDB
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| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50017376
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3 | PDB
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| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50301391
(1-[4-(4-methylphenyl)butyl]-alpha,alpha-diphenyl-4...)Show SMILES Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3 | PDB
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PC sid
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Similars
| Article
PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50301391
(1-[4-(4-methylphenyl)butyl]-alpha,alpha-diphenyl-4...)Show SMILES Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H35NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-18,28,31H,8-10,19-23H2,1H3 | PDB
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PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50301392
(4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]bu...)Show SMILES OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32) | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50301392
(4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]bu...)Show SMILES OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H33NO3/c31-28(32)24-16-14-23(15-17-24)9-7-8-20-30-21-18-27(19-22-30)29(33,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-6,10-17,27,33H,7-9,18-22H2,(H,31,32) | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50017724
(CHEMBL127508 | Diphenyl-piperidin-4-yl-methanol | ...)Show InChI InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50017724
(CHEMBL127508 | Diphenyl-piperidin-4-yl-methanol | ...)Show InChI InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22874
(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50301393
(1-[4-(4-methylcyclohexyl)butyl]alpha,alpha-dipheny...)Show SMILES CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)| Show InChI InChI=1S/C29H41NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-14,24-25,28,31H,8-10,15-23H2,1H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50301393
(1-[4-(4-methylcyclohexyl)butyl]alpha,alpha-dipheny...)Show SMILES CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)| Show InChI InChI=1S/C29H41NO/c1-24-15-17-25(18-16-24)10-8-9-21-30-22-19-28(20-23-30)29(31,26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-7,11-14,24-25,28,31H,8-10,15-23H2,1H3 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay |
Bioorg Med Chem Lett 19: 5043-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.047
BindingDB Entry DOI: 10.7270/Q2NP24HJ |
More data for this
Ligand-Target Pair | |
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