BDBM377412 US10266491, Example 92::US10676434, Example 92

SMILES: NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12

InChI Key: InChIKey=RZFBPBSKLLCKHN-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 = 377412   

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))	BDBM377412 (US10266491, Example 92 | US10676434, Example 92 | ...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.72,6.54,;.39,5.77,;-.94,6.54,;.39,4.23,;1.72,3.46,;1.72,1.92,;3.06,1.15,;.39,1.15,;.39,-.39,;-.94,-1.16,;-.94,-2.7,;.39,-3.47,;1.72,-2.7,;3.19,-3.17,;4.09,-1.93,;3.19,-.68,;1.72,-1.16,;3.59,-4.66,;2.5,-5.75,;5.07,-5.06,;5.47,-6.54,;-.94,1.92,;-2.41,1.45,;-3.04,.04,;-4.57,-.12,;-5.47,1.13,;-4.85,2.53,;-3.31,2.69,;-2.41,3.94,;-.94,3.46,)| Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(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	0.170	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))	BDBM377412 (US10266491, Example 92 | US10676434, Example 92 | ...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.72,6.54,;.39,5.77,;-.94,6.54,;.39,4.23,;1.72,3.46,;1.72,1.92,;3.06,1.15,;.39,1.15,;.39,-.39,;-.94,-1.16,;-.94,-2.7,;.39,-3.47,;1.72,-2.7,;3.19,-3.17,;4.09,-1.93,;3.19,-.68,;1.72,-1.16,;3.59,-4.66,;2.5,-5.75,;5.07,-5.06,;5.47,-6.54,;-.94,1.92,;-2.41,1.45,;-3.04,.04,;-4.57,-.12,;-5.47,1.13,;-4.85,2.53,;-3.31,2.69,;-2.41,3.94,;-.94,3.46,)| Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(H2,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.170	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))	BDBM377412 (US10266491, Example 92 | US10676434, Example 92 | ...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.72,6.54,;.39,5.77,;-.94,6.54,;.39,4.23,;1.72,3.46,;1.72,1.92,;3.06,1.15,;.39,1.15,;.39,-.39,;-.94,-1.16,;-.94,-2.7,;.39,-3.47,;1.72,-2.7,;3.19,-3.17,;4.09,-1.93,;3.19,-.68,;1.72,-1.16,;3.59,-4.66,;2.5,-5.75,;5.07,-5.06,;5.47,-6.54,;-.94,1.92,;-2.41,1.45,;-3.04,.04,;-4.57,-.12,;-5.47,1.13,;-4.85,2.53,;-3.31,2.69,;-2.41,3.94,;-.94,3.46,)| Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(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	0.170	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