BDBM166787 US10604504, Example 234::US9688629, 234::US9802915, Example 237::US9920031, Example 237

SMILES: Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O

InChI Key: InChIKey=ODBXQTKSJQXAGI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 166787   

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))	BDBM166787 (US10604504, Example 234 | US9688629, 234 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)	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))	BDBM166787 (US10604504, Example 234 | US9688629, 234 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM166787 (US10604504, Example 234 | US9688629, 234 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)	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))	BDBM166787 (US10604504, Example 234 | US9688629, 234 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)	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))	BDBM166787 (US10604504, Example 234 | US9688629, 234 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)	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	0.900	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))	BDBM166787 (US10604504, Example 234 | US9688629, 234 | US98029...) Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)	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	0.900	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