BDBM50201728 CHEMBL3914552
SMILES: Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1
InChI Key: InChIKey=SLVVMRCBCPKQIX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50201728 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 |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201728
(CHEMBL3914552)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16ClN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(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 | 142 | 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201728
(CHEMBL3914552)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(Cl)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16ClN5O/c21-14-5-13(8-16(27)9-14)18-17-19(22)23-10-24-20(17)26(25-18)15-6-11-3-1-2-4-12(11)7-15/h1-5,8-10,15,27H,6-7H2,(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 | 4 | 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 | |