BDBM50443877 CHEMBL3091539

SMILES: Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F

InChI Key: InChIKey=MRFZAIJGZOAMQT-QGZVFWFLSA-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 = 50443877   

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 1A (Homo sapiens (Human))	BDBM50443877 (CHEMBL3091539) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50443877 (CHEMBL3091539) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |r| Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6				Bioorg Med Chem Lett 23: 6933-7 (2013) Article DOI: 10.1016/j.bmcl.2013.09.020 BindingDB Entry DOI: 10.7270/Q2VT1TJ4
					More data for this Ligand-Target Pair