BDBM259439 US10457647, Example 38::US9512084, 38

SMILES: CO[C@H]1CCN([C@@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C

InChI Key: InChIKey=MRMUBBWFULSDKQ-RPBOFIJWSA-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 = 259439   

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))	BDBM259439 (US10457647, Example 38 | US9512084, 38) Show SMILES CO[C@H]1CCN([C@@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O4/c1-4-26(38)37-10-9-25(40-3)24(37)14-41-28-27(34-15-35-29(28)33)21-12-19(31)13-23(16(21)2)36-30(39)20-8-7-18(11-22(20)32)17-5-6-17/h4,7-8,11-13,15,17,24-25H,1,5-6,9-10,14H2,2-3H3,(H,36,39)(H2,33,34,35)/t24-,25+/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	2	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))	BDBM259439 (US10457647, Example 38 | US9512084, 38) Show SMILES CO[C@H]1CCN([C@@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C |r| Show InChI InChI=1S/C30H31F2N5O4/c1-4-26(38)37-10-9-25(40-3)24(37)14-41-28-27(34-15-35-29(28)33)21-12-19(31)13-23(16(21)2)36-30(39)20-8-7-18(11-22(20)32)17-5-6-17/h4,7-8,11-13,15,17,24-25H,1,5-6,9-10,14H2,2-3H3,(H,36,39)(H2,33,34,35)/t24-,25+/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	2	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