BDBM50201724 CHEMBL3983045
SMILES: COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12
InChI Key: InChIKey=KEQWMSHCZCJPFX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50201724 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)) | BDBM50201724
(CHEMBL3983045)Show SMILES COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C21H19N5O2/c1-28-17-7-6-14(10-16(17)27)19-18-20(22)23-11-24-21(18)26(25-19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,27H,8-9H2,1H3,(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356 BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201724
(CHEMBL3983045)Show SMILES COc1ccc(cc1O)-c1nn(C2Cc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C21H19N5O2/c1-28-17-7-6-14(10-16(17)27)19-18-20(22)23-11-24-21(18)26(25-19)15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,27H,8-9H2,1H3,(H2,22,23,24) | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Pvt. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay |
ACS Med Chem Lett 7: 1161-1166 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00356 BindingDB Entry DOI: 10.7270/Q29K4D6F |
More data for this Ligand-Target Pair | |