BDBM50123555 CHEMBL3622191

SMILES: CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c21)C(N)=O

InChI Key: InChIKey=DAPZQYDGISEPRJ-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123555   

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))	BDBM50123555 (CHEMBL3622191) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c21)C(N)=O Show InChI InChI=1S/C37H39N5O3/c1-22-26(7-6-8-30(22)40-35(44)23-9-12-25(13-10-23)37(2,3)4)27-15-16-29(34(38)43)33-32(27)28-14-11-24(21-31(28)39-33)36(45)42-19-17-41(5)18-20-42/h6-16,21,39H,17-20H2,1-5H3,(H2,38,43)(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) BindingDB Entry DOI: 10.7270/Q2251M17
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