Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50020483' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50020483
(CHEMBL3290141)Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1 Show InChI InChI=1S/C29H24N6O2/c1-18-9-12-24(33-27(36)21-11-10-19-5-2-3-6-20(19)13-21)15-26(18)28(37)34-25-16-31-29(32-17-25)35-23-8-4-7-22(30)14-23/h2-17H,30H2,1H3,(H,33,36)(H,34,37)(H,31,32,35) | 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Inhibition of Btk (unknown origin) after 1 hr by HTRF assay |
J Med Chem 57: 5112-28 (2014)
Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50020483
(CHEMBL3290141)Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1 Show InChI InChI=1S/C29H24N6O2/c1-18-9-12-24(33-27(36)21-11-10-19-5-2-3-6-20(19)13-21)15-26(18)28(37)34-25-16-31-29(32-17-25)35-23-8-4-7-22(30)14-23/h2-17H,30H2,1H3,(H,33,36)(H,34,37)(H,31,32,35) | 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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114051 BindingDB Entry DOI: 10.7270/Q2HH6Q5N |
More data for this Ligand-Target Pair | |