BDBM50236070 CHEMBL4060425

SMILES: CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1C

InChI Key: InChIKey=OMQHDTJIWDZYOI-SANMLTNESA-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 = 50236070   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50236070 (CHEMBL4060425) Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@@H](N)Cc2ccccc2)ccc1C |r| Show InChI InChI=1S/C33H34N8O3/c1-5-29(42)38-27-16-24(13-11-20(27)2)37-32-35-18-23-19-41(33(44)40(4)30(23)39-32)28-17-25(14-12-21(28)3)36-31(43)26(34)15-22-9-7-6-8-10-22/h5-14,16-18,26H,1,15,19,34H2,2-4H3,(H,36,43)(H,38,42)(H,35,37,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter				J Med Chem 60: 1793-1816 (2017) Article DOI: 10.1021/acs.jmedchem.6b01413 BindingDB Entry DOI: 10.7270/Q2GH9M74
					More data for this Ligand-Target Pair