null

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1

InChI Key: InChIKey=OSECUMVFQSYGEV-UYAOXDASSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 255337   

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))	BDBM255337 (US9481682, 87) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1 |r| Show InChI InChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9481682 (2016) BindingDB Entry DOI: 10.7270/Q2959GGM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255337 (US9481682, 87) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1 |r| Show InChI InChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human whole blood assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with anti-...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127390 BindingDB Entry DOI: 10.7270/Q22N55Z9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255337 (US9481682, 87) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1 |r| Show InChI InChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127390 BindingDB Entry DOI: 10.7270/Q22N55Z9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255337 (US9481682, 87) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCCN2C1 |r| Show InChI InChI=1S/C27H26F3N7O/c28-27(29,30)19-9-10-32-21(14-19)34-26(38)17-5-3-16(4-6-17)22-23-24(31)33-11-13-37(23)25(35-22)18-7-8-20-2-1-12-36(20)15-18/h3-6,9-11,13-14,18,20H,1-2,7-8,12,15H2,(H2,31,33)(H,32,34,38)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length BTK (unknown origin) expressed in baculovirus infected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-NH2 peptide as su...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127390 BindingDB Entry DOI: 10.7270/Q22N55Z9
					More data for this Ligand-Target Pair