null

SMILES: CN1C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=LNEKAOSGMIMLFY-MJGOQNOKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 255255   

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))	BDBM255255 (US9481682, 3) Show SMILES CN1C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F3N8O2/c1-36-14-19-7-6-17(13-38(19)26(36)40)24-35-21(22-23(31)33-10-11-37(22)24)15-2-4-16(5-3-15)25(39)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,17,19H,6-7,13-14H2,1H3,(H2,31,33)(H,32,34,39)/t17-,19+/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	7.20	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))	BDBM255255 (US9481682, 3) Show SMILES CN1C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F3N8O2/c1-36-14-19-7-6-17(13-38(19)26(36)40)24-35-21(22-23(31)33-10-11-37(22)24)15-2-4-16(5-3-15)25(39)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,17,19H,6-7,13-14H2,1H3,(H2,31,33)(H,32,34,39)/t17-,19+/m1/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	403	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))	BDBM255255 (US9481682, 3) Show SMILES CN1C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F3N8O2/c1-36-14-19-7-6-17(13-38(19)26(36)40)24-35-21(22-23(31)33-10-11-37(22)24)15-2-4-16(5-3-15)25(39)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,17,19H,6-7,13-14H2,1H3,(H2,31,33)(H,32,34,39)/t17-,19+/m1/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	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair