BDBM50466322 CHEMBL4292583

SMILES: CN([C@H]1CCN(C1)c1ccc(C(N)=O)c(Nc2ccc(CCN3CCCC3)cc2)n1)C(=O)C=C

InChI Key: InChIKey=AAZLLXXSMCDQCH-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 50466322   

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))	BDBM50466322 (CHEMBL4292583) Show SMILES CN([C@H]1CCN(C1)c1ccc(C(N)=O)c(Nc2ccc(CCN3CCCC3)cc2)n1)C(=O)C=C |r| Show InChI InChI=1S/C26H34N6O2/c1-3-24(33)30(2)21-13-17-32(18-21)23-11-10-22(25(27)34)26(29-23)28-20-8-6-19(7-9-20)12-16-31-14-4-5-15-31/h3,6-11,21H,1,4-5,12-18H2,2H3,(H2,27,34)(H,28,29)/t21-/m0/s1	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	41	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research & Development Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human PBMC assessed as suppression of BCR-induced CD69 expression on B cells pretreated f...				Bioorg Med Chem Lett 28: 3419-3424 (2018) Article DOI: 10.1016/j.bmcl.2018.09.033 BindingDB Entry DOI: 10.7270/Q218395S
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50466322 (CHEMBL4292583) Show SMILES CN([C@H]1CCN(C1)c1ccc(C(N)=O)c(Nc2ccc(CCN3CCCC3)cc2)n1)C(=O)C=C |r| Show InChI InChI=1S/C26H34N6O2/c1-3-24(33)30(2)21-13-17-32(18-21)23-11-10-22(25(27)34)26(29-23)28-20-8-6-19(7-9-20)12-16-31-14-4-5-15-31/h3,6-11,21H,1,4-5,12-18H2,2H3,(H2,27,34)(H,28,29)/t21-/m0/s1	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research & Development Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using FITC-AHA-E...				Bioorg Med Chem Lett 28: 3419-3424 (2018) Article DOI: 10.1016/j.bmcl.2018.09.033 BindingDB Entry DOI: 10.7270/Q218395S
					More data for this Ligand-Target Pair