Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM324308' 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)) | BDBM324308
(1-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)| Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(41)33-25-8-10-38(21-12-22(40)13-21)15-19-11-18(5-6-23(19)25)24-7-9-30-28(34-24)32-20-14-31-37(4)16-20/h5-7,9,11,14,16-17,21-22,25,40H,8,10,12-13,15H2,1-4H3,(H,33,41)(H,30,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOGEN MA INC.
US Patent
| Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
US Patent US10189829 (2019)
BindingDB Entry DOI: 10.7270/Q2V69MP8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM324308
(1-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)| Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(41)33-25-8-10-38(21-12-22(40)13-21)15-19-11-18(5-6-23(19)25)24-7-9-30-28(34-24)32-20-14-31-37(4)16-20/h5-7,9,11,14,16-17,21-22,25,40H,8,10,12-13,15H2,1-4H3,(H,33,41)(H,30,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOGEN MA INC.
US Patent
| Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
US Patent US10961237 (2021)
BindingDB Entry DOI: 10.7270/Q2GH9N29 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM324308
(1-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)| Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(41)33-25-8-10-38(21-12-22(40)13-21)15-19-11-18(5-6-23(19)25)24-7-9-30-28(34-24)32-20-14-31-37(4)16-20/h5-7,9,11,14,16-17,21-22,25,40H,8,10,12-13,15H2,1-4H3,(H,33,41)(H,30,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
Neuroscience
| Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a... |
J Med Chem 51: 1730-9 (2008)
BindingDB Entry DOI: 10.7270/Q25M681D |
More data for this Ligand-Target Pair | |