BDBM50201727 CHEMBL3924678
SMILES: Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12
InChI Key: InChIKey=CKJXBFPVDBUQHA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50201727 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)) | BDBM50201727
(CHEMBL3924678)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12 Show InChI InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(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 | 217 | 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)) | BDBM50201727
(CHEMBL3924678)Show SMILES Nc1ncnc2n(nc(-c3cc(O)cc(F)c3)c12)C1CCc2ccccc12 Show InChI InChI=1S/C20H16FN5O/c21-13-7-12(8-14(27)9-13)18-17-19(22)23-10-24-20(17)26(25-18)16-6-5-11-3-1-2-4-15(11)16/h1-4,7-10,16,27H,5-6H2,(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 | 13 | 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 | |
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