null

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

InChI Key: InChIKey=DDJYALBVAIREOL-INIZCTEOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 259421   

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))	BDBM259421 (US10457647, Example 20 | US11180460, Example 20 | ...) Show SMILES CC#CC(=O)N(C)[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C29H29F2N5O3/c1-5-6-25(37)36(4)16(2)14-39-27-26(33-15-34-28(27)32)22-12-20(30)13-24(17(22)3)35-29(38)21-10-9-19(11-23(21)31)18-7-8-18/h9-13,15-16,18H,7-8,14H2,1-4H3,(H,35,38)(H2,32,33,34)/t16-/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	5	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))	BDBM259421 (US10457647, Example 20 | US11180460, Example 20 | ...) Show SMILES CC#CC(=O)N(C)[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C29H29F2N5O3/c1-5-6-25(37)36(4)16(2)14-39-27-26(33-15-34-28(27)32)22-12-20(30)13-24(17(22)3)35-29(38)21-10-9-19(11-23(21)31)18-7-8-18/h9-13,15-16,18H,7-8,14H2,1-4H3,(H,35,38)(H2,32,33,34)/t16-/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	5	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))	BDBM259421 (US10457647, Example 20 | US11180460, Example 20 | ...) Show SMILES CC#CC(=O)N(C)[C@@H](C)COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C |r| Show InChI InChI=1S/C29H29F2N5O3/c1-5-6-25(37)36(4)16(2)14-39-27-26(33-15-34-28(27)32)22-12-20(30)13-24(17(22)3)35-29(38)21-10-9-19(11-23(21)31)18-7-8-18/h9-13,15-16,18H,7-8,14H2,1-4H3,(H,35,38)(H2,32,33,34)/t16-/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	5	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