BDBM377380 US10266491, Example 48::US10676434, Example 48

SMILES: NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12

InChI Key: InChIKey=VVWYYBBLJSKPQO-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 377380   

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))	BDBM377380 (US10266491, Example 48 | US10676434, Example 48 | ...) Show SMILES NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12 Show InChI InChI=1S/C21H21N3O3S/c1-2-28(26,27)24-14-7-5-6-13(12-14)15-10-11-17(21(22)25)20-19(15)16-8-3-4-9-18(16)23-20/h2,5-7,10-12,23-24H,1,3-4,8-9H2,(H2,22,25)	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	0.0950	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					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 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377380 (US10266491, Example 48 | US10676434, Example 48 | ...) Show SMILES NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12 Show InChI InChI=1S/C21H21N3O3S/c1-2-28(26,27)24-14-7-5-6-13(12-14)15-10-11-17(21(22)25)20-19(15)16-8-3-4-9-18(16)23-20/h2,5-7,10-12,23-24H,1,3-4,8-9H2,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0950	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377380 (US10266491, Example 48 | US10676434, Example 48 | ...) Show SMILES NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12 Show InChI InChI=1S/C21H21N3O3S/c1-2-28(26,27)24-14-7-5-6-13(12-14)15-10-11-17(21(22)25)20-19(15)16-8-3-4-9-18(16)23-20/h2,5-7,10-12,23-24H,1,3-4,8-9H2,(H2,22,25)	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	0.0950	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 US10676434 (2020)
					More data for this Ligand-Target Pair