BDBM50436479 CHEMBL2397308

SMILES: Cc1ccc(cn1)C(=O)N(CC(=O)Nc1ncc(s1)-c1ccc(N)cc1)Cc1ccccc1

InChI Key: InChIKey=MZTTVVHNFDPGBY-UHFFFAOYSA-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 = 50436479   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50436479 (CHEMBL2397308) Show SMILES Cc1ccc(cn1)C(=O)N(CC(=O)Nc1ncc(s1)-c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C25H23N5O2S/c1-17-7-8-20(13-27-17)24(32)30(15-18-5-3-2-4-6-18)16-23(31)29-25-28-14-22(33-25)19-9-11-21(26)12-10-19/h2-14H,15-16,26H2,1H3,(H,28,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50436479 (CHEMBL2397308) Show SMILES Cc1ccc(cn1)C(=O)N(CC(=O)Nc1ncc(s1)-c1ccc(N)cc1)Cc1ccccc1 Show InChI InChI=1S/C25H23N5O2S/c1-17-7-8-20(13-27-17)24(32)30(15-18-5-3-2-4-6-18)16-23(31)29-25-28-14-22(33-25)19-9-11-21(26)12-10-19/h2-14H,15-16,26H2,1H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 23: 3841-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.077 BindingDB Entry DOI: 10.7270/Q2BG2QCX
					More data for this Ligand-Target Pair