Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM303639' 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)) | BDBM303639
(US10138229, Example 151 | US10875852, Example 151)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccn3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.22,8.74,;2.7,9.14,;3.79,8.05,;3.4,6.56,;1.91,6.16,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-5-21(33)31-13-11-26(16-31)14-18(15-26)32-24(27)22(25(28)34)23(30-32)17-7-9-19(10-8-17)35-20-6-3-4-12-29-20/h3-4,6-10,12,18H,11,13-16,27H2,1H3,(H2,28,34)/t18-,26- | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ... |
US Patent US10875852 (2020)
BindingDB Entry DOI: 10.7270/Q2DN484H |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM303639
(US10138229, Example 151 | US10875852, Example 151)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccn3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.22,8.74,;2.7,9.14,;3.79,8.05,;3.4,6.56,;1.91,6.16,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-5-21(33)31-13-11-26(16-31)14-18(15-26)32-24(27)22(25(28)34)23(30-32)17-7-9-19(10-8-17)35-20-6-3-4-12-29-20/h3-4,6-10,12,18H,11,13-16,27H2,1H3,(H2,28,34)/t18-,26- | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim International GmbH
US Patent
| Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ... |
US Patent US10138229 (2018)
BindingDB Entry DOI: 10.7270/Q2CJ8GJJ |
More data for this Ligand-Target Pair | |