null

SMILES: COC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C

InChI Key: InChIKey=WPKTWCDIDXHHLT-AOVWKMQPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 458202   

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))	BDBM458202 (US10752615, Compound 98) Show SMILES COC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wD:21.23,23.26,(-.44,-6.19,;.97,-5.56,;1.13,-4.03,;2.54,-3.4,;-.11,-3.12,;-1.58,-3.6,;-2.48,-2.35,;-1.58,-1.11,;-.11,-1.58,;-2.05,.36,;-1.02,1.5,;-3.56,.68,;-4.04,2.14,;-5.5,2.62,;-5.5,4.16,;-6.65,5.19,;-6.33,6.7,;-4.86,7.17,;-3.72,6.14,;-4.04,4.63,;-3.13,3.39,;-1.59,3.39,;-.5,2.3,;.59,3.39,;-.5,4.48,;1.49,2.14,;2.96,2.62,;2.96,4.16,;1.49,4.63,;4.2,5.06,;4.04,6.6,;5.61,4.44,;6.86,5.34,)| Show InChI InChI=1S/C24H24N4O4S/c1-3-20(29)27-11-10-24(14-27)12-15(13-24)28-17-7-5-4-6-16(17)25-23(28)26-21(30)18-8-9-19(33-18)22(31)32-2/h3-9,15H,1,10-14H2,2H3,(H,25,26,30)/t15-,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
GB005, Inc. US Patent					Assay Description The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...				US Patent US10752615 (2020) BindingDB Entry DOI: 10.7270/Q2G163WG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM458202 (US10752615, Compound 98) Show SMILES COC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wD:21.23,23.26,(-.44,-6.19,;.97,-5.56,;1.13,-4.03,;2.54,-3.4,;-.11,-3.12,;-1.58,-3.6,;-2.48,-2.35,;-1.58,-1.11,;-.11,-1.58,;-2.05,.36,;-1.02,1.5,;-3.56,.68,;-4.04,2.14,;-5.5,2.62,;-5.5,4.16,;-6.65,5.19,;-6.33,6.7,;-4.86,7.17,;-3.72,6.14,;-4.04,4.63,;-3.13,3.39,;-1.59,3.39,;-.5,2.3,;.59,3.39,;-.5,4.48,;1.49,2.14,;2.96,2.62,;2.96,4.16,;1.49,4.63,;4.2,5.06,;4.04,6.6,;5.61,4.44,;6.86,5.34,)| Show InChI InChI=1S/C24H24N4O4S/c1-3-20(29)27-11-10-24(14-27)12-15(13-24)28-17-7-5-4-6-16(17)25-23(28)26-21(30)18-8-9-19(33-18)22(31)32-2/h3-9,15H,1,10-14H2,2H3,(H,25,26,30)/t15-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.96	n/a	n/a	n/a	n/a	n/a	n/a
GB005, Inc. US Patent					Assay Description The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria...				US Patent US10752615 (2020) BindingDB Entry DOI: 10.7270/Q2G163WG
					More data for this Ligand-Target Pair