BDBM165208 US10604504, Example 33::US9688629, 33::US9802915, Example 33::US9920031, Example 33

SMILES: Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O

InChI Key: InChIKey=FAOHRDZPCKORGG-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 = 165208   

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))	BDBM165208 (US10604504, Example 33 | US9688629, 33 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O Show InChI InChI=1S/C18H17N3O3S/c1-3-25(23,24)21-13-6-4-5-12(9-13)14-7-8-15(18(19)22)17-16(14)11(2)10-20-17/h3-10,20-21H,1H2,2H3,(H2,19,22)	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	0.120	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))	BDBM165208 (US10604504, Example 33 | US9688629, 33 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O Show InChI InChI=1S/C18H17N3O3S/c1-3-25(23,24)21-13-6-4-5-12(9-13)14-7-8-15(18(19)22)17-16(14)11(2)10-20-17/h3-10,20-21H,1H2,2H3,(H2,19,22)	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	0.120	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))	BDBM165208 (US10604504, Example 33 | US9688629, 33 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O Show InChI InChI=1S/C18H17N3O3S/c1-3-25(23,24)21-13-6-4-5-12(9-13)14-7-8-15(18(19)22)17-16(14)11(2)10-20-17/h3-10,20-21H,1H2,2H3,(H2,19,22)	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	0.120	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))	BDBM165208 (US10604504, Example 33 | US9688629, 33 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O Show InChI InChI=1S/C18H17N3O3S/c1-3-25(23,24)21-13-6-4-5-12(9-13)14-7-8-15(18(19)22)17-16(14)11(2)10-20-17/h3-10,20-21H,1H2,2H3,(H2,19,22)	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	0.120	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