Found 4 hits for monomerid = 50394895 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50394895
(CHEMBL2165500)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1 Show InChI InChI=1S/C25H31N7O3S2/c1-3-22-26-19-6-4-5-7-21(19)32(22)25-27-20-16-18(17-29-8-10-31(11-9-29)37(2,33)34)36-23(20)24(28-25)30-12-14-35-15-13-30/h4-7,16H,3,8-15,17H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to PI3Kdelta after 30 mins by competitive fluorescence polarization assay |
J Med Chem 55: 5887-900 (2012)
Article DOI: 10.1021/jm3003747 BindingDB Entry DOI: 10.7270/Q2V125XN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50394895
(CHEMBL2165500)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1 Show InChI InChI=1S/C25H31N7O3S2/c1-3-22-26-19-6-4-5-7-21(19)32(22)25-27-20-16-18(17-29-8-10-31(11-9-29)37(2,33)34)36-23(20)24(28-25)30-12-14-35-15-13-30/h4-7,16H,3,8-15,17H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50394895
(CHEMBL2165500)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1 Show InChI InChI=1S/C25H31N7O3S2/c1-3-22-26-19-6-4-5-7-21(19)32(22)25-27-20-16-18(17-29-8-10-31(11-9-29)37(2,33)34)36-23(20)24(28-25)30-12-14-35-15-13-30/h4-7,16H,3,8-15,17H2,1-2H3 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Time dependent inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins |
J Med Chem 55: 5887-900 (2012)
Article DOI: 10.1021/jm3003747 BindingDB Entry DOI: 10.7270/Q2V125XN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50394895
(CHEMBL2165500)Show SMILES CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1 Show InChI InChI=1S/C25H31N7O3S2/c1-3-22-26-19-6-4-5-7-21(19)32(22)25-27-20-16-18(17-29-8-10-31(11-9-29)37(2,33)34)36-23(20)24(28-25)30-12-14-35-15-13-30/h4-7,16H,3,8-15,17H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human PI3Kdelta-mediated AKT phosphorylation at S473 in Ri-1 cells after 30 mins by electrochemiluminescence assay in presence of human... |
J Med Chem 55: 5887-900 (2012)
Article DOI: 10.1021/jm3003747 BindingDB Entry DOI: 10.7270/Q2V125XN |
More data for this Ligand-Target Pair | |