BDBM50365641 CHEMBL1957980

SMILES: C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc(cc1)N1CCOCC1

InChI Key: InChIKey=ULCHJALZVCDNEC-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 = 50365641   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50365641 (CHEMBL1957980) Show SMILES C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C21H26N4OS/c1-2-4-17(5-3-1)22-20-19(23-21-25(20)12-15-27-21)16-6-8-18(9-7-16)24-10-13-26-14-11-24/h6-9,12,15,17,22H,1-5,10-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/OSF Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...				Bioorg Med Chem Lett 22: 1969-75 (2012) Article DOI: 10.1016/j.bmcl.2012.01.038 BindingDB Entry DOI: 10.7270/Q2P84CCK
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50365641 (CHEMBL1957980) Show SMILES C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C21H26N4OS/c1-2-4-17(5-3-1)22-20-19(23-21-25(20)12-15-27-21)16-6-8-18(9-7-16)24-10-13-26-14-11-24/h6-9,12,15,17,22H,1-5,10-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZAFES/LiFF/OSF Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...				Bioorg Med Chem Lett 22: 1969-75 (2012) Article DOI: 10.1016/j.bmcl.2012.01.038 BindingDB Entry DOI: 10.7270/Q2P84CCK
					More data for this Ligand-Target Pair