BDBM259429 US10457647, Example 28::US9512084, 28

SMILES: CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)N(C1)C(=O)C=C

InChI Key: InChIKey=HMNGHDQWQAJIPP-XZOQPEGZSA-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 = 259429   

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))	BDBM259429 (US10457647, Example 28 | US9512084, 28) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)N(C1)C(=O)C=C |r| Show InChI InChI=1S/C32H34FN5O5/c1-3-28(40)38-14-23(42-2)13-22(38)16-43-30-29(35-17-36-31(30)34)25-11-21(33)12-27(26(25)15-39)37-9-8-20-10-19(18-4-5-18)6-7-24(20)32(37)41/h3,6-7,10-12,17-18,22-23,39H,1,4-5,8-9,13-16H2,2H3,(H2,34,35,36)/t22-,23+/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))	BDBM259429 (US10457647, Example 28 | US9512084, 28) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(N3CCc4cc(ccc4C3=O)C3CC3)c2CO)N(C1)C(=O)C=C |r| Show InChI InChI=1S/C32H34FN5O5/c1-3-28(40)38-14-23(42-2)13-22(38)16-43-30-29(35-17-36-31(30)34)25-11-21(33)12-27(26(25)15-39)37-9-8-20-10-19(18-4-5-18)6-7-24(20)32(37)41/h3,6-7,10-12,17-18,22-23,39H,1,4-5,8-9,13-16H2,2H3,(H2,34,35,36)/t22-,23+/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