null

SMILES: CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1

InChI Key: InChIKey=NVFLLQMAPBOJAZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 202130   

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))	BDBM202130 (US9233983, I-1) Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C37H38N6O3/c1-41-13-15-42(16-14-41)22-24-5-10-32(39-21-24)33-20-30-28(11-12-38-36(30)40-33)27-3-2-4-34(31(27)23-44)43-17-18-46-35-19-26(25-6-7-25)8-9-29(35)37(43)45/h2-5,8-12,19-21,25,44H,6-7,13-18,22-23H2,1H3,(H,38,40)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM202130 (US9233983, I-1) Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C37H38N6O3/c1-41-13-15-42(16-14-41)22-24-5-10-32(39-21-24)33-20-30-28(11-12-38-36(30)40-33)27-3-2-4-34(31(27)23-44)43-17-18-46-35-19-26(25-6-7-25)8-9-29(35)37(43)45/h2-5,8-12,19-21,25,44H,6-7,13-18,22-23H2,1H3,(H,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins f...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM202130 (US9233983, I-1) Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(ccc4C3=O)C3CC3)c2CO)CC1 Show InChI InChI=1S/C37H38N6O3/c1-41-13-15-42(16-14-41)22-24-5-10-32(39-21-24)33-20-30-28(11-12-38-36(30)40-33)27-3-2-4-34(31(27)23-44)43-17-18-46-35-19-26(25-6-7-25)8-9-29(35)37(43)45/h2-5,8-12,19-21,25,44H,6-7,13-18,22-23H2,1H3,(H,38,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET as...				Bioorg Med Chem Lett 27: 1867-1873 (2017) Article DOI: 10.1016/j.bmcl.2017.02.026 BindingDB Entry DOI: 10.7270/Q2K35X74
					More data for this Ligand-Target Pair