BDBM165582 US10604504, Example 193::US9688629, 193::US9802915, Example 193::US9920031, Example 193

SMILES: Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O

InChI Key: InChIKey=FAZLGHLHABXZPS-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 165582   

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))	BDBM165582 (US10604504, Example 193 | US9688629, 193 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-5.51,2.3,;-3.97,2.3,;-3.06,3.54,;-1.6,3.07,;-.26,3.84,;1.07,3.07,;1.07,1.53,;2.4,.76,;-.26,.76,;-.26,-.78,;-1.6,-1.55,;-1.6,-3.09,;-.26,-3.86,;1.07,-3.09,;2.53,-3.57,;3.44,-2.32,;2.53,-1.08,;1.07,-1.55,;2.93,-5.06,;1.84,-6.15,;4.42,-5.46,;5.51,-4.37,;-1.6,1.53,;-3.06,1.05,;-3.52,-.28,;-.26,5.38,;1.07,6.15,;-1.6,6.15,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-8-13-14(6-5-7-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.140	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))	BDBM165582 (US10604504, Example 193 | US9688629, 193 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-5.51,2.3,;-3.97,2.3,;-3.06,3.54,;-1.6,3.07,;-.26,3.84,;1.07,3.07,;1.07,1.53,;2.4,.76,;-.26,.76,;-.26,-.78,;-1.6,-1.55,;-1.6,-3.09,;-.26,-3.86,;1.07,-3.09,;2.53,-3.57,;3.44,-2.32,;2.53,-1.08,;1.07,-1.55,;2.93,-5.06,;1.84,-6.15,;4.42,-5.46,;5.51,-4.37,;-1.6,1.53,;-3.06,1.05,;-3.52,-.28,;-.26,5.38,;1.07,6.15,;-1.6,6.15,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-8-13-14(6-5-7-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.140	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165582 (US10604504, Example 193 | US9688629, 193 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-5.51,2.3,;-3.97,2.3,;-3.06,3.54,;-1.6,3.07,;-.26,3.84,;1.07,3.07,;1.07,1.53,;2.4,.76,;-.26,.76,;-.26,-.78,;-1.6,-1.55,;-1.6,-3.09,;-.26,-3.86,;1.07,-3.09,;2.53,-3.57,;3.44,-2.32,;2.53,-1.08,;1.07,-1.55,;2.93,-5.06,;1.84,-6.15,;4.42,-5.46,;5.51,-4.37,;-1.6,1.53,;-3.06,1.05,;-3.52,-.28,;-.26,5.38,;1.07,6.15,;-1.6,6.15,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-8-13-14(6-5-7-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.140	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165582 (US10604504, Example 193 | US9688629, 193 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-5.51,2.3,;-3.97,2.3,;-3.06,3.54,;-1.6,3.07,;-.26,3.84,;1.07,3.07,;1.07,1.53,;2.4,.76,;-.26,.76,;-.26,-.78,;-1.6,-1.55,;-1.6,-3.09,;-.26,-3.86,;1.07,-3.09,;2.53,-3.57,;3.44,-2.32,;2.53,-1.08,;1.07,-1.55,;2.93,-5.06,;1.84,-6.15,;4.42,-5.46,;5.51,-4.37,;-1.6,1.53,;-3.06,1.05,;-3.52,-.28,;-.26,5.38,;1.07,6.15,;-1.6,6.15,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-8-13-14(6-5-7-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.140	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