BDBM50437043 CHEMBL2403317

SMILES: COc1ccnc(Oc2ccc3n(Cc4c(F)cc(F)cc4F)cnc(=O)c3c2)c1C(F)(F)F

InChI Key: InChIKey=YHNQBDQWYZKMDP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50437043   

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))	BDBM50437043 (CHEMBL2403317) Show SMILES COc1ccnc(Oc2ccc3n(Cc4c(F)cc(F)cc4F)cnc(=O)c3c2)c1C(F)(F)F Show InChI InChI=1S/C22H13F6N3O3/c1-33-18-4-5-29-21(19(18)22(26,27)28)34-12-2-3-17-13(8-12)20(32)30-10-31(17)9-14-15(24)6-11(23)7-16(14)25/h2-8,10H,9H2,1H3	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: 4132-40 (2013) Article DOI: 10.1016/j.bmcl.2013.05.037 BindingDB Entry DOI: 10.7270/Q21V5GC5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50437043 (CHEMBL2403317) Show SMILES COc1ccnc(Oc2ccc3n(Cc4c(F)cc(F)cc4F)cnc(=O)c3c2)c1C(F)(F)F Show InChI InChI=1S/C22H13F6N3O3/c1-33-18-4-5-29-21(19(18)22(26,27)28)34-12-2-3-17-13(8-12)20(32)30-10-31(17)9-14-15(24)6-11(23)7-16(14)25/h2-8,10H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 4132-40 (2013) Article DOI: 10.1016/j.bmcl.2013.05.037 BindingDB Entry DOI: 10.7270/Q21V5GC5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50437043 (CHEMBL2403317) Show SMILES COc1ccnc(Oc2ccc3n(Cc4c(F)cc(F)cc4F)cnc(=O)c3c2)c1C(F)(F)F Show InChI InChI=1S/C22H13F6N3O3/c1-33-18-4-5-29-21(19(18)22(26,27)28)34-12-2-3-17-13(8-12)20(32)30-10-31(17)9-14-15(24)6-11(23)7-16(14)25/h2-8,10H,9H2,1H3	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 4132-40 (2013) Article DOI: 10.1016/j.bmcl.2013.05.037 BindingDB Entry DOI: 10.7270/Q21V5GC5
					More data for this Ligand-Target Pair