Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM324396' 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)) | BDBM324396
((S)-5-(tert-butyl)-N-(2- (3-hydroxy- cyclobutyl)-8...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wD:15.30,(7.12,-4.44,;5.59,-4.28,;4.56,-5.43,;3.15,-4.8,;1.82,-5.57,;.48,-4.8,;-.85,-5.57,;-2.19,-4.8,;-2.19,-3.26,;-.85,-2.49,;.48,-3.26,;-.85,-.95,;.48,-.18,;.48,1.36,;-.85,2.13,;-.62,3.65,;-1.67,4.78,;-3.21,4.66,;-4.07,3.39,;-3.62,1.92,;-2.19,1.36,;-2.19,-.18,;-5.6,3.62,;-6.46,4.9,;-7.73,4.04,;-9.25,4.33,;-6.87,2.76,;.85,4.11,;2.34,3.71,;2.34,2.17,;3.82,4.11,;4.3,5.57,;5.84,5.57,;6.32,4.11,;5.07,3.2,;7.78,3.63,;8.92,4.66,;8.1,2.13,;9.25,3.16,;3.31,-3.27,;4.82,-2.95,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/m0/s1 | 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 |
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 | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM324396
((S)-5-(tert-butyl)-N-(2- (3-hydroxy- cyclobutyl)-8...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wD:15.30,(7.12,-4.44,;5.59,-4.28,;4.56,-5.43,;3.15,-4.8,;1.82,-5.57,;.48,-4.8,;-.85,-5.57,;-2.19,-4.8,;-2.19,-3.26,;-.85,-2.49,;.48,-3.26,;-.85,-.95,;.48,-.18,;.48,1.36,;-.85,2.13,;-.62,3.65,;-1.67,4.78,;-3.21,4.66,;-4.07,3.39,;-3.62,1.92,;-2.19,1.36,;-2.19,-.18,;-5.6,3.62,;-6.46,4.9,;-7.73,4.04,;-9.25,4.33,;-6.87,2.76,;.85,4.11,;2.34,3.71,;2.34,2.17,;3.82,4.11,;4.3,5.57,;5.84,5.57,;6.32,4.11,;5.07,3.2,;7.78,3.63,;8.92,4.66,;8.1,2.13,;9.25,3.16,;3.31,-3.27,;4.82,-2.95,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/m0/s1 | 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 |
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)) | BDBM324396
((S)-5-(tert-butyl)-N-(2- (3-hydroxy- cyclobutyl)-8...)Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wD:15.30,(7.12,-4.44,;5.59,-4.28,;4.56,-5.43,;3.15,-4.8,;1.82,-5.57,;.48,-4.8,;-.85,-5.57,;-2.19,-4.8,;-2.19,-3.26,;-.85,-2.49,;.48,-3.26,;-.85,-.95,;.48,-.18,;.48,1.36,;-.85,2.13,;-.62,3.65,;-1.67,4.78,;-3.21,4.66,;-4.07,3.39,;-3.62,1.92,;-2.19,1.36,;-2.19,-.18,;-5.6,3.62,;-6.46,4.9,;-7.73,4.04,;-9.25,4.33,;-6.87,2.76,;.85,4.11,;2.34,3.71,;2.34,2.17,;3.82,4.11,;4.3,5.57,;5.84,5.57,;6.32,4.11,;5.07,3.2,;7.78,3.63,;8.92,4.66,;8.1,2.13,;9.25,3.16,;3.31,-3.27,;4.82,-2.95,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/m0/s1 | 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 |
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 | |