BDBM166011 US10604504, Example 211::US9688629, 209::US9688629, 210::US9688629, 211::US9802915, Example 209::US9920031, Example 211

SMILES: Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O

InChI Key: InChIKey=NWOZQABVGNIQDF-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 = 166011   

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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.240	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	6.40	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.200	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.240	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	6.40	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.200	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.240	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	6.40	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.200	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.240	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	6.40	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))	BDBM166011 (US10604504, Example 211 | US9688629, 209 | US96886...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31)	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	0.200	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