BDBM50201723 CHEMBL3905578
SMILES: Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1
InChI Key: InChIKey=FARBFZWIIWBNTM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50201723 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)) | BDBM50201723
(CHEMBL3905578)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-14(9-17(28)10-15)19-18-20(23)24-11-25-21(18)27(26-19)16-6-5-12-3-1-2-4-13(12)8-16/h1-4,7,9-11,16,28H,5-6,8H2,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | 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)) | BDBM50201723
(CHEMBL3905578)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-14(9-17(28)10-15)19-18-20(23)24-11-25-21(18)27(26-19)16-6-5-12-3-1-2-4-13(12)8-16/h1-4,7,9-11,16,28H,5-6,8H2,(H2,23,24,25) | 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 | 86 | 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 | |
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