null

SMILES: CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12

InChI Key: InChIKey=IZIVSMQSMIQJDS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 165437   

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))	BDBM165437 (US10604504, Example 133 | US11623921, Example 133 ...) Show SMILES CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)| Show InChI InChI=1S/C23H20FN3O2/c1-4-6-19(28)27-10-14-7-5-8-15(17(14)11-27)21-18(24)9-16(23(25)29)22-20(21)12(2)13(3)26-22/h5,7-9,26H,10-11H2,1-3H3,(H2,25,29)	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	71	n/a	n/a	n/a	n/a	7.4	25
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 US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165437 (US10604504, Example 133 | US11623921, Example 133 ...) Show SMILES CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)| Show InChI InChI=1S/C23H20FN3O2/c1-4-6-19(28)27-10-14-7-5-8-15(17(14)11-27)21-18(24)9-16(23(25)29)22-20(21)12(2)13(3)26-22/h5,7-9,26H,10-11H2,1-3H3,(H2,25,29)	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	71	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 US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165437 (US10604504, Example 133 | US11623921, Example 133 ...) Show SMILES CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)| Show InChI InChI=1S/C23H20FN3O2/c1-4-6-19(28)27-10-14-7-5-8-15(17(14)11-27)21-18(24)9-16(23(25)29)22-20(21)12(2)13(3)26-22/h5,7-9,26H,10-11H2,1-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165437 (US10604504, Example 133 | US11623921, Example 133 ...) Show SMILES CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)| Show InChI InChI=1S/C23H20FN3O2/c1-4-6-19(28)27-10-14-7-5-8-15(17(14)11-27)21-18(24)9-16(23(25)29)22-20(21)12(2)13(3)26-22/h5,7-9,26H,10-11H2,1-3H3,(H2,25,29)	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	71	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 US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165437 (US10604504, Example 133 | US11623921, Example 133 ...) Show SMILES CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)| Show InChI InChI=1S/C23H20FN3O2/c1-4-6-19(28)27-10-14-7-5-8-15(17(14)11-27)21-18(24)9-16(23(25)29)22-20(21)12(2)13(3)26-22/h5,7-9,26H,10-11H2,1-3H3,(H2,25,29)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					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...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair