Found 12 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 1A2
(Homo sapiens (Human)) | BDBM50444329
(CHEMBL3094298)Show InChI InChI=1S/C23H17N3O/c1-2-7-19(8-3-1)26-16-24-22-13-12-20(14-23(22)26)27-15-18-11-10-17-6-4-5-9-21(17)25-18/h1-14,16H,15H2 | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444321
(CHEMBL3094308)Show InChI InChI=1S/C24H19N3O/c1-17-25-23-14-13-21(15-24(23)27(17)20-8-3-2-4-9-20)28-16-19-12-11-18-7-5-6-10-22(18)26-19/h2-15H,16H2,1H3 | 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 | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444330
(CHEMBL3094294)Show InChI InChI=1S/C21H15N5O/c1-2-4-18-15(3-1)5-6-16(25-18)12-27-17-7-8-19-20(11-17)26(14-24-19)21-9-10-22-13-23-21/h1-11,13-14H,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444328
(CHEMBL3094202)Show InChI InChI=1S/C22H16N4O/c1-2-4-20-16(3-1)5-6-17(25-20)14-27-19-7-8-21-22(13-19)26(15-24-21)18-9-11-23-12-10-18/h1-13,15H,14H2 | 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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444326
(CHEMBL3094309)Show InChI InChI=1S/C25H21N3O/c1-2-25-27-23-15-14-21(16-24(23)28(25)20-9-4-3-5-10-20)29-17-19-13-12-18-8-6-7-11-22(18)26-19/h3-16H,2,17H2,1H3 | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444323
(CHEMBL3091492)Show SMILES CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444325
(CHEMBL3094310)Show SMILES C(Oc1ccc2nc(C3CC3)n(-c3ccccc3)c2c1)c1ccc2ccccc2n1 Show InChI InChI=1S/C26H21N3O/c1-2-7-21(8-3-1)29-25-16-22(14-15-24(25)28-26(29)19-10-11-19)30-17-20-13-12-18-6-4-5-9-23(18)27-20/h1-9,12-16,19H,10-11,17H2 | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444324
(CHEMBL3094199)Show SMILES CCCc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 Show InChI InChI=1S/C26H23N3O/c1-2-8-26-28-24-16-15-22(17-25(24)29(26)21-10-4-3-5-11-21)30-18-20-14-13-19-9-6-7-12-23(19)27-20/h3-7,9-17H,2,8,18H2,1H3 | 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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444331
(CHEMBL3094306)Show SMILES COCc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c1-29-17-25-27-23-14-13-21(15-24(23)28(25)20-8-3-2-4-9-20)30-16-19-12-11-18-7-5-6-10-22(18)26-19/h2-15H,16-17H2,1H3 | 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 | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444322
(CHEMBL3094307)Show SMILES CN(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 Show InChI InChI=1S/C25H22N4O/c1-28(2)25-27-23-15-14-21(16-24(23)29(25)20-9-4-3-5-10-20)30-17-19-13-12-18-8-6-7-11-22(18)26-19/h3-16H,17H2,1-2H3 | 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 | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444320
(CHEMBL3094304)Show InChI InChI=1S/C24H19N3O2/c1-28-23-13-21-22(27(16-25-21)19-8-3-2-4-9-19)14-24(23)29-15-18-12-11-17-7-5-6-10-20(17)26-18/h2-14,16H,15H2,1H3 | 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 | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50444327
(CHEMBL3094296)Show SMILES COc1cc2nc(C(C)C)n(-c3ccccc3)c2cc1OCc1ccc2ccccc2n1 Show InChI InChI=1S/C27H25N3O2/c1-18(2)27-29-23-15-25(31-3)26(16-24(23)30(27)21-10-5-4-6-11-21)32-17-20-14-13-19-9-7-8-12-22(19)28-20/h4-16,18H,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 | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay |
Bioorg Med Chem 21: 7612-23 (2013)
Article DOI: 10.1016/j.bmc.2013.10.035 BindingDB Entry DOI: 10.7270/Q280542J |
More data for this Ligand-Target Pair | |