Found 4 hits for monomerid = 50395803 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50395803
(CHEMBL2165175)Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395803
(CHEMBL2165175)Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50395803
(CHEMBL2165175)Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by... |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50395803
(CHEMBL2165175)Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 6671-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM |
More data for this Ligand-Target Pair | |