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SMILES: C\C=C\C(=O)N(C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=IELBEIPVEXKBJL-FNORWQNLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 450411   

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))	BDBM450411 (US10676434, Example 37) Show SMILES C\C=C\C(=O)N(C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C27H27N3O3/c1-5-7-23(31)30(4)18-9-6-8-16(14-18)19-12-13-21(26(28)32)25-24(19)20-11-10-17(27(2,3)33)15-22(20)29-25/h5-15,29,33H,1-4H3,(H2,28,32)/b7-5+	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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A test compound was incubated with human recombinant Btk (100 nM) for 1.5 h at a concentration of 25 times the IC50 of Btk inhibition or 200 nM (whic...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM450411 (US10676434, Example 37) Show SMILES C\C=C\C(=O)N(C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C27H27N3O3/c1-5-7-23(31)30(4)18-9-6-8-16(14-18)19-12-13-21(26(28)32)25-24(19)20-11-10-17(27(2,3)33)15-22(20)29-25/h5-15,29,33H,1-4H3,(H2,28,32)/b7-5+	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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair