BDBM165348 US10604504, Example 132::US9688629, 132::US9802915, Example 132::US9920031, Example 132

SMILES: Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O

InChI Key: InChIKey=MFLVCWQDEZJABB-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 = 165348   

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))	BDBM165348 (US10604504, Example 132 | US9688629, 132 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.4,1.15,;-4.86,1.15,;-3.95,2.4,;-2.49,1.93,;-1.15,2.69,;.18,1.93,;.18,.38,;1.51,-.38,;-1.15,-.38,;-1.15,-1.93,;-2.49,-2.69,;-2.49,-4.23,;-1.15,-5,;.18,-4.23,;1.64,-4.71,;2.55,-3.47,;1.64,-2.22,;.18,-2.69,;4.09,-3.47,;4.86,-2.13,;4.86,-4.8,;6.4,-4.8,;-2.49,.38,;-3.95,-.09,;-4.41,-1.42,;-1.15,4.23,;.18,5,;-2.49,5,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-13-6-5-7-14(16(13)10-26)20-17(23)8-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-8,25H,1,9-10H2,2-3H3,(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	0.150	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))	BDBM165348 (US10604504, Example 132 | US9688629, 132 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.4,1.15,;-4.86,1.15,;-3.95,2.4,;-2.49,1.93,;-1.15,2.69,;.18,1.93,;.18,.38,;1.51,-.38,;-1.15,-.38,;-1.15,-1.93,;-2.49,-2.69,;-2.49,-4.23,;-1.15,-5,;.18,-4.23,;1.64,-4.71,;2.55,-3.47,;1.64,-2.22,;.18,-2.69,;4.09,-3.47,;4.86,-2.13,;4.86,-4.8,;6.4,-4.8,;-2.49,.38,;-3.95,-.09,;-4.41,-1.42,;-1.15,4.23,;.18,5,;-2.49,5,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-13-6-5-7-14(16(13)10-26)20-17(23)8-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-8,25H,1,9-10H2,2-3H3,(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	0.150	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))	BDBM165348 (US10604504, Example 132 | US9688629, 132 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.4,1.15,;-4.86,1.15,;-3.95,2.4,;-2.49,1.93,;-1.15,2.69,;.18,1.93,;.18,.38,;1.51,-.38,;-1.15,-.38,;-1.15,-1.93,;-2.49,-2.69,;-2.49,-4.23,;-1.15,-5,;.18,-4.23,;1.64,-4.71,;2.55,-3.47,;1.64,-2.22,;.18,-2.69,;4.09,-3.47,;4.86,-2.13,;4.86,-4.8,;6.4,-4.8,;-2.49,.38,;-3.95,-.09,;-4.41,-1.42,;-1.15,4.23,;.18,5,;-2.49,5,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-13-6-5-7-14(16(13)10-26)20-17(23)8-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-8,25H,1,9-10H2,2-3H3,(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	0.150	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))	BDBM165348 (US10604504, Example 132 | US9688629, 132 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.4,1.15,;-4.86,1.15,;-3.95,2.4,;-2.49,1.93,;-1.15,2.69,;.18,1.93,;.18,.38,;1.51,-.38,;-1.15,-.38,;-1.15,-1.93,;-2.49,-2.69,;-2.49,-4.23,;-1.15,-5,;.18,-4.23,;1.64,-4.71,;2.55,-3.47,;1.64,-2.22,;.18,-2.69,;4.09,-3.47,;4.86,-2.13,;4.86,-4.8,;6.4,-4.8,;-2.49,.38,;-3.95,-.09,;-4.41,-1.42,;-1.15,4.23,;.18,5,;-2.49,5,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-13-6-5-7-14(16(13)10-26)20-17(23)8-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-8,25H,1,9-10H2,2-3H3,(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	0.150	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