BDBM50119578 CHEMBL3617734

SMILES: CN1CCN(C(C1)c1ccccc1)C(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1

InChI Key: InChIKey=IIUNRDLMIHCWET-UHFFFAOYSA-N

Data: 1 KI

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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 = 50119578   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50119578 (CHEMBL3617734) Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C34H41N9O2/c1-42-19-20-43(29(23-42)25-9-4-2-5-10-25)33(45)14-7-3-6-13-32(44)36-26-11-8-12-27(21-26)37-34-35-18-17-30(39-34)38-31-22-28(40-41-31)24-15-16-24/h2,4-5,8-12,17-18,21-22,24,29H,3,6-7,13-16,19-20,23H2,1H3,(H,36,44)(H3,35,37,38,39,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) BindingDB Entry DOI: 10.7270/Q2833TTZ
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