Found 64 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 |
|---|
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162787
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162787
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162776
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-12-11-27-17-29)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162776
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-12-11-27-17-29)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162783
(CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162780
(CHEMBL180348 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(CC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)27(30-13-12-28-18-30)24-9-8-23-16-25(11-10-22(23)15-24)33-17-21-6-4-20(5-7-21)14-26(31)32/h4-13,15-16,18-19,27H,14,17H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162791
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H26N4O/c1-19(29(2)3)26(30-13-12-28-18-30)24-9-8-23-15-25(11-10-22(23)14-24)31-17-21-6-4-20(16-27)5-7-21/h4-15,18-19,26H,17H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162791
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H26N4O/c1-19(29(2)3)26(30-13-12-28-18-30)24-9-8-23-15-25(11-10-22(23)14-24)31-17-21-6-4-20(16-27)5-7-21/h4-15,18-19,26H,17H2,1-3H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162788
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-13-12-28-18-30)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162788
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-13-12-28-18-30)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162782
(CHEMBL179550 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(OCC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C27H29N3O4/c1-19(29(2)3)27(30-13-12-28-18-30)23-7-6-22-15-25(11-8-21(22)14-23)33-16-20-4-9-24(10-5-20)34-17-26(31)32/h4-15,18-19,27H,16-17H2,1-3H3,(H,31,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162772
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C28H32N4O2/c1-20(30(2)3)27(32-14-13-29-19-32)24-10-9-23-17-26(12-11-22(23)16-24)34-18-21-7-6-8-25(15-21)28(33)31(4)5/h6-17,19-20,27H,18H2,1-5H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14.4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162793
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162793
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162778
(CHEMBL362412 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES COC(=O)COc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O4/c1-20(30(2)3)28(31-14-13-29-19-31)24-8-7-23-16-26(12-9-22(23)15-24)34-17-21-5-10-25(11-6-21)35-18-27(32)33-4/h5-16,19-20,28H,17-18H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162778
(CHEMBL362412 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES COC(=O)COc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O4/c1-20(30(2)3)28(31-14-13-29-19-31)24-8-7-23-16-26(12-9-22(23)15-24)34-17-21-5-10-25(11-6-21)35-18-27(32)33-4/h5-16,19-20,28H,17-18H2,1-4H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162777
(CHEMBL180805 | {2-[6-(2,2-Dimethyl-propoxy)-naphth...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21.4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162777
(CHEMBL180805 | {2-[6-(2,2-Dimethyl-propoxy)-naphth...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3 | Reactome pathway
KEGG
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PubMed
| n/a | n/a | 21.4 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162780
(CHEMBL180348 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(CC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)27(30-13-12-28-18-30)24-9-8-23-16-25(11-10-22(23)15-24)33-17-21-6-4-20(5-7-21)14-26(31)32/h4-13,15-16,18-19,27H,14,17H2,1-3H3,(H,31,32) | Reactome pathway
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162784
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3 | Reactome pathway
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162784
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3 | Reactome pathway
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162775
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C25H34N4O2/c1-18(27(4)5)23(29-13-12-26-17-29)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(2,3)24(30)28(6)7/h8-15,17-18,23H,16H2,1-7H3 | Reactome pathway
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162785
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CNC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1 Show InChI InChI=1S/C27H30N4O2/c1-19(30(3)4)26(31-13-12-29-18-31)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(32)28-2/h5-16,18-19,26H,17H2,1-4H3,(H,28,32) | Reactome pathway
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162793
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162793
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162792
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H30N4O2/c1-16(26(4)5)21(27-11-10-25-15-27)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(24)28/h6-13,15-16,21H,14H2,1-5H3,(H2,24,28) | Reactome pathway
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162786
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(N)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H28N4O2/c1-18(29(2)3)25(30-12-11-28-17-30)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(27)31/h4-15,17-18,25H,16H2,1-3H3,(H2,27,31) | Reactome pathway
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PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162789
(CHEMBL180856 | [2-(6-Benzyloxy-naphthalen-2-yl)-2-...)Show SMILES CC(C(c1ccc2cc(OCc3ccccc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C25H27N3O/c1-19(27(2)3)25(28-14-13-26-18-28)23-10-9-22-16-24(12-11-21(22)15-23)29-17-20-7-5-4-6-8-20/h4-16,18-19,25H,17H2,1-3H3 | Reactome pathway
KEGG
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UniChem
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162779
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CNC(=O)C(C)(C)COc1ccc2cc(ccc2c1)C(C(C)N(C)C)n1ccnc1 Show InChI InChI=1S/C24H32N4O2/c1-17(27(5)6)22(28-12-11-26-16-28)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(2,3)23(29)25-4/h7-14,16-17,22H,15H2,1-6H3,(H,25,29) | Reactome pathway
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162790
(CHEMBL180592 | {2-Imidazol-1-yl-1-methyl-2-[6-(4-n...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C25H26N4O3/c1-18(27(2)3)25(28-13-12-26-17-28)22-7-6-21-15-24(11-8-20(21)14-22)32-16-19-4-9-23(10-5-19)29(30)31/h4-15,17-18,25H,16H2,1-3H3 | Reactome pathway
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162783
(CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3 | Reactome pathway
KEGG
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162789
(CHEMBL180856 | [2-(6-Benzyloxy-naphthalen-2-yl)-2-...)Show SMILES CC(C(c1ccc2cc(OCc3ccccc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C25H27N3O/c1-19(27(2)3)25(28-14-13-26-18-28)23-10-9-22-16-24(12-11-21(22)15-23)29-17-20-7-5-4-6-8-20/h4-16,18-19,25H,17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162788
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-13-12-28-18-30)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162788
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES COC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1 Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-13-12-28-18-30)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162778
(CHEMBL362412 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES COC(=O)COc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O4/c1-20(30(2)3)28(31-14-13-29-19-31)24-8-7-23-16-26(12-9-22(23)15-24)34-17-21-5-10-25(11-6-21)35-18-27(32)33-4/h5-16,19-20,28H,17-18H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162778
(CHEMBL362412 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES COC(=O)COc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1 Show InChI InChI=1S/C28H31N3O4/c1-20(30(2)3)28(31-14-13-29-19-31)24-8-7-23-16-26(12-9-22(23)15-24)34-17-21-5-10-25(11-6-21)35-18-27(32)33-4/h5-16,19-20,28H,17-18H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162791
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H26N4O/c1-19(29(2)3)26(30-13-12-28-18-30)24-9-8-23-15-25(11-10-22(23)14-24)31-17-21-6-4-20(16-27)5-7-21/h4-15,18-19,26H,17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162791
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H26N4O/c1-19(29(2)3)26(30-13-12-28-18-30)24-9-8-23-15-25(11-10-22(23)14-24)31-17-21-6-4-20(16-27)5-7-21/h4-15,18-19,26H,17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50162781
(CHEMBL178873 | [6-(2-Dimethylamino-1-imidazol-1-yl...)Show SMILES CC(C(c1ccc2cc(OCC(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-14(22(2)3)20(23-9-8-21-13-23)17-5-4-16-11-18(26-12-19(24)25)7-6-15(16)10-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 335 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162790
(CHEMBL180592 | {2-Imidazol-1-yl-1-methyl-2-[6-(4-n...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C25H26N4O3/c1-18(27(2)3)25(28-13-12-26-17-28)22-7-6-21-15-24(11-8-20(21)14-22)32-16-19-4-9-23(10-5-19)29(30)31/h4-15,17-18,25H,16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 344 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162772
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C28H32N4O2/c1-20(30(2)3)27(32-14-13-29-19-32)24-10-9-23-17-26(12-11-22(23)16-24)34-18-21-7-6-8-25(15-21)28(33)31(4)5/h6-17,19-20,27H,18H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 357 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162785
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CNC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1 Show InChI InChI=1S/C27H30N4O2/c1-19(30(3)4)26(31-13-12-29-18-31)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(32)28-2/h5-16,18-19,26H,17H2,1-4H3,(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162786
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(N)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H28N4O2/c1-18(29(2)3)25(30-12-11-28-17-30)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(27)31/h4-15,17-18,25H,16H2,1-3H3,(H2,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162784
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162784
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162787
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162787
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162777
(CHEMBL180805 | {2-[6-(2,2-Dimethyl-propoxy)-naphth...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162777
(CHEMBL180805 | {2-[6-(2,2-Dimethyl-propoxy)-naphth...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162782
(CHEMBL179550 | {4-[6-(2-Dimethylamino-1-imidazol-1...)Show SMILES CC(C(c1ccc2cc(OCc3ccc(OCC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C27H29N3O4/c1-19(29(2)3)27(30-13-12-28-18-30)23-7-6-22-15-25(11-8-21(22)14-23)33-16-20-4-9-24(10-5-20)34-17-26(31)32/h4-15,18-19,27H,16-17H2,1-3H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162792
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H30N4O2/c1-16(26(4)5)21(27-11-10-25-15-27)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(24)28/h6-13,15-16,21H,14H2,1-5H3,(H2,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162779
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CNC(=O)C(C)(C)COc1ccc2cc(ccc2c1)C(C(C)N(C)C)n1ccnc1 Show InChI InChI=1S/C24H32N4O2/c1-17(27(5)6)22(28-12-11-26-16-28)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(2,3)23(29)25-4/h7-14,16-17,22H,15H2,1-6H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162775
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C25H34N4O2/c1-18(27(4)5)23(29-13-12-26-17-29)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(2,3)24(30)28(6)7/h8-15,17-18,23H,16H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162781
(CHEMBL178873 | [6-(2-Dimethylamino-1-imidazol-1-yl...)Show SMILES CC(C(c1ccc2cc(OCC(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C20H23N3O3/c1-14(22(2)3)20(23-9-8-21-13-23)17-5-4-16-11-18(26-12-19(24)25)7-6-15(16)10-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162776
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-12-11-27-17-29)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162776
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-12-11-27-17-29)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 2D6 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 2C9 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 1A2 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50176808
(5-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1H-benz...)Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Potency towards cytochrome P 450 26 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50162773
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity |
Bioorg Med Chem Lett 15: 1669-73 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R |
More data for this
Ligand-Target Pair | |
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