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SMILES: CCCOc1ccc(cc1F)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O

InChI Key: InChIKey=RWTGOZVFNOZKKB-BCTVQRCUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 303649   

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))	BDBM303649 (US10138229, Example 161 | US10875852, Example 161) Show SMILES CCCOc1ccc(cc1F)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:14.14,16.19,wD:16.23,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-3.64,6.05,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)| Show InChI InChI=1S/C24H28FN5O3/c1-3-5-19(31)29-9-8-24(14-29)12-16(13-24)30-22(26)20(23(27)32)21(28-30)15-6-7-18(17(25)11-15)33-10-4-2/h6-7,11,16H,4,8-10,12-14,26H2,1-2H3,(H2,27,32)/t16-,24-	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303649 (US10138229, Example 161 | US10875852, Example 161) Show SMILES CCCOc1ccc(cc1F)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:14.14,16.19,wD:16.23,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-3.64,6.05,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)| Show InChI InChI=1S/C24H28FN5O3/c1-3-5-19(31)29-9-8-24(14-29)12-16(13-24)30-22(26)20(23(27)32)21(28-30)15-6-7-18(17(25)11-15)33-10-4-2/h6-7,11,16H,4,8-10,12-14,26H2,1-2H3,(H2,27,32)/t16-,24-	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair