BDBM259419 US10457647, Example 18::US9512084, 18

SMILES: CC#CC(=O)N[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C

InChI Key: InChIKey=WWPRHRSBBBVQRE-HNNXBMFYSA-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 = 259419   

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))	BDBM259419 (US10457647, Example 18 | US9512084, 18) Show SMILES CC#CC(=O)N[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)34-15(2)13-38-26-25(32-14-33-27(26)31)21-11-19(29)12-23(16(21)3)35-28(37)20-9-8-18(10-22(20)30)17-6-7-17/h8-12,14-15,17H,6-7,13H2,1-3H3,(H,34,36)(H,35,37)(H2,31,32,33)/t15-/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	1	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))	BDBM259419 (US10457647, Example 18 | US9512084, 18) Show SMILES CC#CC(=O)N[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C28H27F2N5O3/c1-4-5-24(36)34-15(2)13-38-26-25(32-14-33-27(26)31)21-11-19(29)12-23(16(21)3)35-28(37)20-9-8-18(10-22(20)30)17-6-7-17/h8-12,14-15,17H,6-7,13H2,1-3H3,(H,34,36)(H,35,37)(H2,31,32,33)/t15-/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	1	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