Found 16 hits with Last Name = 'tibasco' and Initial = 'j' 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417543
(CHEMBL1632210)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)c3ccccc3)c2)CC1 Show InChI InChI=1S/C29H30N4O/c1-22-13-14-26-27(30-22)11-6-12-28(26)33-19-17-32(18-20-33)16-15-23-7-5-10-25(21-23)31-29(34)24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417544
(CHEMBL1632218)Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C27H29N5OS/c1-19-9-10-23-24(28-19)7-4-8-26(23)32-15-13-31(14-16-32)12-11-21-5-3-6-22(17-21)30-27(33)25-18-34-20(2)29-25/h3-10,17-18H,11-16H2,1-2H3,(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417549
(CHEMBL1632223)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 Show InChI InChI=1S/C29H31N5O/c1-22-13-14-26-27(30-22)11-6-12-28(26)34-19-17-33(18-20-34)16-15-23-7-5-10-25(21-23)32-29(35)31-24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H2,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417545
(CHEMBL1631535)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C23H28N4O2S/c1-18-9-10-21-22(24-18)7-4-8-23(21)27-15-13-26(14-16-27)12-11-19-5-3-6-20(17-19)25-30(2,28)29/h3-10,17,25H,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417546
(CHEMBL1632220)Show SMILES CCNC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C25H31N5O/c1-3-26-25(31)28-21-7-4-6-20(18-21)12-13-29-14-16-30(17-15-29)24-9-5-8-23-22(24)11-10-19(2)27-23/h4-11,18H,3,12-17H2,1-2H3,(H2,26,28,31) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417548
(CHEMBL1631542)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCOC2=O)CC1 Show InChI InChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50417547
(CHEMBL1632206)Show SMILES CC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C24H28N4O/c1-18-9-10-22-23(25-18)7-4-8-24(22)28-15-13-27(14-16-28)12-11-20-5-3-6-21(17-20)26-19(2)29/h3-10,17H,11-16H2,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
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| Article
PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
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| Article
PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetilide from human ERG by SPA |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using atorvastatin as probe |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
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CHEMBL
MCE
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PC sid
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| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as probe |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
Reactome pathway
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CHEMBL
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| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes using nifedipine as probe |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
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CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP219 |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
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CHEMBL
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| Article
PubMed
| n/a | n/a | 8.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50333015
(1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31) | PDB
MMDB
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UniChem
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| Article
PubMed
| n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
J Med Chem 53: 8228-8240 (2010)
Article DOI: 10.1021/jm100714c
BindingDB Entry DOI: 10.7270/Q2SF2WD4 |
More data for this
Ligand-Target Pair | |
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