null

SMILES: C[C@H](NCc1ccc2n([C@H]3CC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C

InChI Key: InChIKey=RQHPEGYBWYMSLE-UHOSZYNNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 434522   

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 TXK (Homo sapiens (Human))	BDBM434522 (US10562893, Compound 18) Show SMILES C[C@H](NCc1ccc2n([C@H]3CC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C28H35F2N5O2S/c1-6-24(36)32-18-8-9-19(14-18)35-21-10-7-17(15-31-16(2)28(3,4)5)13-20(21)33-27(35)34-26(37)23-12-11-22(38-23)25(29)30/h6-7,10-13,16,18-19,25,31H,1,8-9,14-15H2,2-5H3,(H,32,36)(H,33,34,37)/t16-,18+,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a
GB005, INC. US Patent					Assay Description RLK/TXK: The in vitro kinase assays were performed at Nanosyn utilizing micro-fluidic detection technology. The test compounds were serially pre-dilu...				US Patent US10562893 (2020) BindingDB Entry DOI: 10.7270/Q2571FC8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM434522 (US10562893, Compound 18) Show SMILES C[C@H](NCc1ccc2n([C@H]3CC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r| Show InChI InChI=1S/C28H35F2N5O2S/c1-6-24(36)32-18-8-9-19(14-18)35-21-10-7-17(15-31-16(2)28(3,4)5)13-20(21)33-27(35)34-26(37)23-12-11-22(38-23)25(29)30/h6-7,10-13,16,18-19,25,31H,1,8-9,14-15H2,2-5H3,(H,32,36)(H,33,34,37)/t16-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a
GB005, INC. US Patent					Assay Description ITK: The in vitro kinase assays were performed at Nanosyn utilizing micro-fluidic detection technology. The test compounds were serially pre-diluted ...				US Patent US10562893 (2020) BindingDB Entry DOI: 10.7270/Q2571FC8
					More data for this Ligand-Target Pair