BDBM374609 US10246457, Example 18

SMILES: Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO

InChI Key: InChIKey=BMSPLGRRCSYHSR-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 2 hits for monomerid = 374609   

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))	BDBM374609 (US10246457, Example 18) Show SMILES Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO Show InChI InChI=1S/C27H26N6O2S/c1-33-13-17(12-29-33)19-9-16(10-20-25(19)31-32-26(20)28)18-6-4-7-22(21(18)14-34)30-27(35)24-11-15-5-2-3-8-23(15)36-24/h4,6-7,9-13,34H,2-3,5,8,14H2,1H3,(H,30,35)(H3,28,31,32)	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	11.6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Btk enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (lime-resolved fluorescence resonance energy transfer) assay...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2833VB3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM374609 (US10246457, Example 18) Show SMILES Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO Show InChI InChI=1S/C27H26N6O2S/c1-33-13-17(12-29-33)19-9-16(10-20-25(19)31-32-26(20)28)18-6-4-7-22(21(18)14-34)30-27(35)24-11-15-5-2-3-8-23(15)36-24/h4,6-7,9-13,34H,2-3,5,8,14H2,1H3,(H,30,35)(H3,28,31,32)	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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Btk enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (lime-resolved fluorescence resonance energy transfer) assay...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2833VB3
					More data for this Ligand-Target Pair