null

SMILES: Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO

InChI Key: InChIKey=JJMARAVUCXEXPI-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 259425   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM259425 (US10457647, Example 24 | US11180460, Example 24 | ...) Show SMILES Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r| Show InChI InChI=1S/C31H32FN5O4/c1-2-27(39)36-10-3-4-22(36)16-41-29-28(34-17-35-30(29)33)24-13-21(32)14-26(25(24)15-38)37-11-9-20-12-19(18-5-6-18)7-8-23(20)31(37)40/h2,7-8,12-14,17-18,22,38H,1,3-6,9-11,15-16H2,(H2,33,34,35)/t22-/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	0.5	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259425 (US10457647, Example 24 | US11180460, Example 24 | ...) Show SMILES Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r| Show InChI InChI=1S/C31H32FN5O4/c1-2-27(39)36-10-3-4-22(36)16-41-29-28(34-17-35-30(29)33)24-13-21(32)14-26(25(24)15-38)37-11-9-20-12-19(18-5-6-18)7-8-23(20)31(37)40/h2,7-8,12-14,17-18,22,38H,1,3-6,9-11,15-16H2,(H2,33,34,35)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259425 (US10457647, Example 24 | US11180460, Example 24 | ...) Show SMILES Nc1ncnc(c1OC[C@@H]1CCCN1C(=O)C=C)-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO |r| Show InChI InChI=1S/C31H32FN5O4/c1-2-27(39)36-10-3-4-22(36)16-41-29-28(34-17-35-30(29)33)24-13-21(32)14-26(25(24)15-38)37-11-9-20-12-19(18-5-6-18)7-8-23(20)31(37)40/h2,7-8,12-14,17-18,22,38H,1,3-6,9-11,15-16H2,(H2,33,34,35)/t22-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US10457647 (2019) BindingDB Entry DOI: 10.7270/Q2KH0QPQ
					More data for this Ligand-Target Pair