null

SMILES: CNC(=O)c1cccc2[nH]c(cc12)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C

InChI Key: InChIKey=QWWSDFMIXCJUAQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 317631   

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))	BDBM317631 (2-{5-Amino- 1-[4-(3-cyano- phenoxy)-2- methyl- phe...) Show SMILES CNC(=O)c1cccc2[nH]c(cc12)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C Show InChI InChI=1S/C28H22N6O3/c1-16-11-19(37-18-6-3-5-17(12-18)14-29)9-10-25(16)34-27(30)22(15-32-34)26(35)24-13-21-20(28(36)31-2)7-4-8-23(21)33-24/h3-13,15,33H,30H2,1-2H3,(H,31,36)	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	13	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))	BDBM317631 (2-{5-Amino- 1-[4-(3-cyano- phenoxy)-2- methyl- phe...) Show SMILES CNC(=O)c1cccc2[nH]c(cc12)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C Show InChI InChI=1S/C28H22N6O3/c1-16-11-19(37-18-6-3-5-17(12-18)14-29)9-10-25(16)34-27(30)22(15-32-34)26(35)24-13-21-20(28(36)31-2)7-4-8-23(21)33-24/h3-13,15,33H,30H2,1-2H3,(H,31,36)	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	13	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))	BDBM317631 (2-{5-Amino- 1-[4-(3-cyano- phenoxy)-2- methyl- phe...) Show SMILES CNC(=O)c1cccc2[nH]c(cc12)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C Show InChI InChI=1S/C28H22N6O3/c1-16-11-19(37-18-6-3-5-17(12-18)14-29)9-10-25(16)34-27(30)22(15-32-34)26(35)24-13-21-20(28(36)31-2)7-4-8-23(21)33-24/h3-13,15,33H,30H2,1-2H3,(H,31,36)	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	13	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