BDBM50464518 CHEMBL4292468

SMILES: COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1

InChI Key: InChIKey=ZDPYLDVRGJKDOU-UHFFFAOYSA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50464518   

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 JAK3 (Homo sapiens (Human))	BDBM50464518 (CHEMBL4292468) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(24(17-21)36-2)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Gl...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50464518 (CHEMBL4292468) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H31ClN6O4/c1-3-25(35)30-19-6-4-7-20(16-19)31-26-22(28)18-29-27(33-26)32-21-8-9-23(24(17-21)36-2)38-13-5-10-34-11-14-37-15-12-34/h3-4,6-9,16-18H,1,5,10-15H2,2H3,(H,30,35)(H2,29,31,32,33)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) pept...				Eur J Med Chem 143: 1847-1857 (2018) Article DOI: 10.1016/j.ejmech.2017.10.080 BindingDB Entry DOI: 10.7270/Q22V2JR3
					More data for this Ligand-Target Pair