BDBM50436482 CHEMBL2397304

SMILES: Nc1ccc(cn1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1

InChI Key: InChIKey=UQGXIBZKHFGPLN-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 = 50436482   

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))	BDBM50436482 (CHEMBL2397304) Show SMILES Nc1ccc(cn1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1 Show InChI InChI=1S/C23H20N6O2S/c24-20-7-6-18(12-26-20)19-13-27-23(32-19)28-21(30)15-29(14-16-4-2-1-3-5-16)22(31)17-8-10-25-11-9-17/h1-13H,14-15H2,(H2,24,26)(H,27,28,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	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))	BDBM50436482 (CHEMBL2397304) Show SMILES Nc1ccc(cn1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1 Show InChI InChI=1S/C23H20N6O2S/c24-20-7-6-18(12-26-20)19-13-27-23(32-19)28-21(30)15-29(14-16-4-2-1-3-5-16)22(31)17-8-10-25-11-9-17/h1-13H,14-15H2,(H2,24,26)(H,27,28,30)	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	1.80E+3	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