BDBM259428 US10457647, Example 27::US9512084, 27

SMILES: CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC

InChI Key: InChIKey=QJICETNTYGZLMO-FCHUYYIVSA-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 3 hits for monomerid = 259428   

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))	BDBM259428 (US10457647, Example 27 | US11180460, Example 27 | ...) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r| Show InChI InChI=1S/C31H31F2N5O4/c1-4-5-27(39)38-14-22(41-3)13-21(38)15-42-29-28(35-16-36-30(29)34)24-11-20(32)12-26(17(24)2)37-31(40)23-9-8-19(10-25(23)33)18-6-7-18/h8-12,16,18,21-22H,6-7,13-15H2,1-3H3,(H,37,40)(H2,34,35,36)/t21-,22+/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	3	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259428 (US10457647, Example 27 | US11180460, Example 27 | ...) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r| Show InChI InChI=1S/C31H31F2N5O4/c1-4-5-27(39)38-14-22(41-3)13-21(38)15-42-29-28(35-16-36-30(29)34)24-11-20(32)12-26(17(24)2)37-31(40)23-9-8-19(10-25(23)33)18-6-7-18/h8-12,16,18,21-22H,6-7,13-15H2,1-3H3,(H,37,40)(H2,34,35,36)/t21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259428 (US10457647, Example 27 | US11180460, Example 27 | ...) Show SMILES CO[C@@H]1C[C@@H](COc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(cc3F)C3CC3)c2C)N(C1)C(=O)C#CC |r| Show InChI InChI=1S/C31H31F2N5O4/c1-4-5-27(39)38-14-22(41-3)13-21(38)15-42-29-28(35-16-36-30(29)34)24-11-20(32)12-26(17(24)2)37-31(40)23-9-8-19(10-25(23)33)18-6-7-18/h8-12,16,18,21-22H,6-7,13-15H2,1-3H3,(H,37,40)(H2,34,35,36)/t21-,22+/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	3	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