BDBM165960 US10604504, Example 206::US9688629, 204::US9688629, 205::US9688629, 206::US9802915, Example 206::US9920031, Example 206

SMILES: Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O

InChI Key: InChIKey=BGLCRSDXKMNCHF-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 165960   

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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	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))	BDBM165960 (US10604504, Example 206 | US9688629, 204 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	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