BDBM202222 US9233983, R-1

SMILES: CC(=O)N1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO

InChI Key: InChIKey=BTYQUDASFVTCPO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 202222   

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))	BDBM202222 (US9233983, R-1) Show SMILES CC(=O)N1CC(C1)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cccc(N2CCOc3cc(cc(F)c3C2=O)C2CC2)c1CO |c:11| Show InChI InChI=1S/C36H36FN5O4/c1-21(44)41-18-25(19-41)40-11-8-23(9-12-40)31-17-28-27(7-10-38-35(28)39-31)26-3-2-4-32(29(26)20-43)42-13-14-46-33-16-24(22-5-6-22)15-30(37)34(33)36(42)45/h2-4,7-8,10,15-17,22,25,43H,5-6,9,11-14,18-20H2,1H3,(H,38,39)	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	2.20	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