Found 5 hits in this display 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 |
NADPH oxidase 4
(Homo sapiens (Human)) | BDBM50330739
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1 Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3 | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50330739
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1 Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50330739
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1 Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C8 |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50330739
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1 Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50330739
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1 Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,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 | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this Ligand-Target Pair | |