Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM303625' 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)) | BDBM303625
(US10138229, Example 137 | US10875852, Example 137)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(F)c(OCC(F)(F)F)c2)C1 |r,wU:10.12,8.7,wD:8.36,(6.4,-4.74,;5.06,-5.51,;3.73,-6.28,;2.39,-7.05,;2.39,-8.59,;1.06,-6.28,;-.4,-6.76,;-1.31,-5.51,;-.4,-4.27,;-.01,-2.78,;-1.49,-2.38,;-1.89,-3.87,;-2.26,-1.05,;-1.36,.2,;-2.26,1.45,;-3.73,.97,;-5.06,1.74,;-5.06,3.28,;-6.4,.97,;-3.73,-.57,;-5.06,-1.34,;-1.86,2.93,;-2.95,4.02,;-2.55,5.51,;-1.07,5.91,;-.67,7.4,;.02,4.82,;1.51,5.22,;1.91,6.71,;3.4,7.1,;3.79,8.59,;4.48,6.02,;4.88,7.5,;-.38,3.33,;1.06,-4.74,)| Show InChI InChI=1S/C23H23F4N5O3/c1-2-3-17(33)31-7-6-22(11-31)9-14(10-22)32-20(28)18(21(29)34)19(30-32)13-4-5-15(24)16(8-13)35-12-23(25,26)27/h4-5,8,14H,6-7,9-12,28H2,1H3,(H2,29,34)/t14-,22- | 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 | 1.60 | 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)) | BDBM303625
(US10138229, Example 137 | US10875852, Example 137)Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(F)c(OCC(F)(F)F)c2)C1 |r,wU:10.12,8.7,wD:8.36,(6.4,-4.74,;5.06,-5.51,;3.73,-6.28,;2.39,-7.05,;2.39,-8.59,;1.06,-6.28,;-.4,-6.76,;-1.31,-5.51,;-.4,-4.27,;-.01,-2.78,;-1.49,-2.38,;-1.89,-3.87,;-2.26,-1.05,;-1.36,.2,;-2.26,1.45,;-3.73,.97,;-5.06,1.74,;-5.06,3.28,;-6.4,.97,;-3.73,-.57,;-5.06,-1.34,;-1.86,2.93,;-2.95,4.02,;-2.55,5.51,;-1.07,5.91,;-.67,7.4,;.02,4.82,;1.51,5.22,;1.91,6.71,;3.4,7.1,;3.79,8.59,;4.48,6.02,;4.88,7.5,;-.38,3.33,;1.06,-4.74,)| Show InChI InChI=1S/C23H23F4N5O3/c1-2-3-17(33)31-7-6-22(11-31)9-14(10-22)32-20(28)18(21(29)34)19(30-32)13-4-5-15(24)16(8-13)35-12-23(25,26)27/h4-5,8,14H,6-7,9-12,28H2,1H3,(H2,29,34)/t14-,22- | 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 | 1.60 | 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 | |