null

SMILES: Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Cc4cccc(c4)C#N)cccc3[nH]2)c1N

InChI Key: InChIKey=VFAHEARSTFKMQJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 317624   

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))	BDBM317624 (3-(2-{5- Amino-1-[4- (2,3-difluoro- phenoxy)-2- me...) Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Cc4cccc(c4)C#N)cccc3[nH]2)c1N Show InChI InChI=1S/C33H23F2N5O2/c1-19-13-23(42-30-10-4-8-26(34)31(30)35)11-12-29(19)40-33(37)25(18-38-40)32(41)28-16-24-22(7-3-9-27(24)39-28)15-20-5-2-6-21(14-20)17-36/h2-14,16,18,39H,15,37H2,1H3	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	29.5	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC.; CHUGAI PHARMACEUTICAL CO. US Patent					Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...				US Patent US9624201 (2017) BindingDB Entry DOI: 10.7270/Q2TQ63NB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM317624 (3-(2-{5- Amino-1-[4- (2,3-difluoro- phenoxy)-2- me...) Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Cc4cccc(c4)C#N)cccc3[nH]2)c1N Show InChI InChI=1S/C33H23F2N5O2/c1-19-13-23(42-30-10-4-8-26(34)31(30)35)11-12-29(19)40-33(37)25(18-38-40)32(41)28-16-24-22(7-3-9-27(24)39-28)15-20-5-2-6-21(14-20)17-36/h2-14,16,18,39H,15,37H2,1H3	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	29.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2R49TX8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM317624 (3-(2-{5- Amino-1-[4- (2,3-difluoro- phenoxy)-2- me...) Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3c(Cc4cccc(c4)C#N)cccc3[nH]2)c1N Show InChI InChI=1S/C33H23F2N5O2/c1-19-13-23(42-30-10-4-8-26(34)31(30)35)11-12-29(19)40-33(37)25(18-38-40)32(41)28-16-24-22(7-3-9-27(24)39-28)15-20-5-2-6-21(14-20)17-36/h2-14,16,18,39H,15,37H2,1H3	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	29.5	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Flouresence...				US Patent US10640491 (2020) BindingDB Entry DOI: 10.7270/Q2SJ1PNF
					More data for this Ligand-Target Pair