BDBM165263 US10604504, Example 59::US9688629, 59::US9802915, Example 59::US9920031, Example 59

SMILES: Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O

InChI Key: InChIKey=JQPVRDYTZPWYRY-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 = 165263   

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))	BDBM165263 (US10604504, Example 59 | US9688629, 59 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)	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	92	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))	BDBM165263 (US10604504, Example 59 | US9688629, 59 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)	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	92	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))	BDBM165263 (US10604504, Example 59 | US9688629, 59 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)	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	92	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))	BDBM165263 (US10604504, Example 59 | US9688629, 59 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay				Bioorg Med Chem Lett 28: 3080-3084 (2018) Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165263 (US10604504, Example 59 | US9688629, 59 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ...				Bioorg Med Chem Lett 28: 3080-3084 (2018) Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165263 (US10604504, Example 59 | US9688629, 59 | US9802915...) Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)	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	92	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