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SMILES: COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O

InChI Key: InChIKey=PDOIMKYZOXSPOL-HNSKJHPRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 303641   

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))	BDBM303641 (US10138229, Example 153 | US10875852, Example 153) Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(1.49,8.19,;-0,7.79,;-.4,6.31,;.69,5.22,;.29,3.73,;-1.2,3.33,;-2.29,4.42,;-1.89,5.91,;-1.6,1.84,;-.69,.6,;-1.6,-.65,;-.83,-1.98,;.66,-2.38,;.26,-3.87,;-1.22,-3.47,;-.64,-5.11,;.26,-6.36,;1.73,-5.88,;1.73,-4.34,;3.06,-6.65,;3.06,-8.19,;4.39,-5.88,;5.73,-6.65,;-3.06,-.17,;-4.39,-.94,;-3.06,1.37,;-4.39,2.14,;-4.39,3.68,;-5.73,1.37,)| Show InChI InChI=1S/C21H25N5O3/c1-3-16(27)25-9-8-21(12-25)10-14(11-21)26-19(22)17(20(23)28)18(24-26)13-4-6-15(29-2)7-5-13/h3-7,14H,1,8-12,22H2,2H3,(H2,23,28)/t14-,21-	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	2.30	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))	BDBM303641 (US10138229, Example 153 | US10875852, Example 153) Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C=C)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(1.49,8.19,;-0,7.79,;-.4,6.31,;.69,5.22,;.29,3.73,;-1.2,3.33,;-2.29,4.42,;-1.89,5.91,;-1.6,1.84,;-.69,.6,;-1.6,-.65,;-.83,-1.98,;.66,-2.38,;.26,-3.87,;-1.22,-3.47,;-.64,-5.11,;.26,-6.36,;1.73,-5.88,;1.73,-4.34,;3.06,-6.65,;3.06,-8.19,;4.39,-5.88,;5.73,-6.65,;-3.06,-.17,;-4.39,-.94,;-3.06,1.37,;-4.39,2.14,;-4.39,3.68,;-5.73,1.37,)| Show InChI InChI=1S/C21H25N5O3/c1-3-16(27)25-9-8-21(12-25)10-14(11-21)26-19(22)17(20(23)28)18(24-26)13-4-6-15(29-2)7-5-13/h3-7,14H,1,8-12,22H2,2H3,(H2,23,28)/t14-,21-	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	2.30	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