BDBM259405 US10457647, Example 4::US9512084, 4

SMILES: CC#CC(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C

InChI Key: InChIKey=KGTZVEIMKWZCMO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 259405   

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))	BDBM259405 (US10457647, Example 4 | US9512084, 4) Show SMILES CC#CC(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C28H25F2N5O3/c1-3-4-24(36)35-12-19(13-35)38-26-25(32-14-33-27(26)31)21-10-18(29)11-23(15(21)2)34-28(37)20-8-7-17(9-22(20)30)16-5-6-16/h7-11,14,16,19H,5-6,12-13H2,1-2H3,(H,34,37)(H2,31,32,33)	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	9	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259405 (US10457647, Example 4 | US9512084, 4) Show SMILES CC#CC(=O)N1CC(C1)Oc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C28H25F2N5O3/c1-3-4-24(36)35-12-19(13-35)38-26-25(32-14-33-27(26)31)21-10-18(29)11-23(15(21)2)34-28(37)20-8-7-17(9-22(20)30)16-5-6-16/h7-11,14,16,19H,5-6,12-13H2,1-2H3,(H,34,37)(H2,31,32,33)	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	9	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