BDBM259432 US10457647, Example 31::US9512084, 31

SMILES: Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](F)CN1C(=O)C=C

InChI Key: InChIKey=MYNSOSQDEAAOFJ-UXHICEINSA-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 = 259432   

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))	BDBM259432 (US10457647, Example 31 | US9512084, 31) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](F)CN1C(=O)C=C |r| Show InChI InChI=1S/C29H28F3N5O3/c1-3-25(38)37-12-19(31)9-20(37)13-40-27-26(34-14-35-28(27)33)22-10-18(30)11-24(15(22)2)36-29(39)21-7-6-17(8-23(21)32)16-4-5-16/h3,6-8,10-11,14,16,19-20H,1,4-5,9,12-13H2,2H3,(H,36,39)(H2,33,34,35)/t19-,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	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))	BDBM259432 (US10457647, Example 31 | US9512084, 31) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OC[C@@H]1C[C@@H](F)CN1C(=O)C=C |r| Show InChI InChI=1S/C29H28F3N5O3/c1-3-25(38)37-12-19(31)9-20(37)13-40-27-26(34-14-35-28(27)33)22-10-18(30)11-24(15(22)2)36-29(39)21-7-6-17(8-23(21)32)16-4-5-16/h3,6-8,10-11,14,16,19-20H,1,4-5,9,12-13H2,2H3,(H,36,39)(H2,33,34,35)/t19-,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	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