BDBM50402384 CHEMBL2207749

SMILES: CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1

InChI Key: InChIKey=MWUSGACKQRXZRZ-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 = 50402384   

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
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50402384 (CHEMBL2207749) Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1 Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior...				Bioorg Med Chem Lett 22: 7504-11 (2012) Article DOI: 10.1016/j.bmcl.2012.10.036 BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50402384 (CHEMBL2207749) Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1 Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development LLC Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem Lett 22: 7504-11 (2012) Article DOI: 10.1016/j.bmcl.2012.10.036 BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50402384 (CHEMBL2207749) Show SMILES CC(=O)N1CC2CN(Cc3ccc(Oc4nc5ncccc5s4)cc3)CC2C1 Show InChI InChI=1S/C21H22N4O2S/c1-14(26)25-12-16-10-24(11-17(16)13-25)9-15-4-6-18(7-5-15)27-21-23-20-19(28-21)3-2-8-22-20/h2-8,16-17H,9-13H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development LLC Curated by ChEMBL					Assay Description Inhibition of dofetilide binding to human ERG by patch clamp assay				Bioorg Med Chem Lett 22: 7504-11 (2012) Article DOI: 10.1016/j.bmcl.2012.10.036 BindingDB Entry DOI: 10.7270/Q2ZG6TDQ
					More data for this Ligand-Target Pair