BDBM50521299 CHEMBL4470478

SMILES: Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1

InChI Key: InChIKey=YUJUWTKAAYMVNM-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 = 50521299   

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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50521299 (CHEMBL4470478) Show SMILES Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1 Show InChI InChI=1S/C21H16ClN3O2S/c22-14-4-3-5-16(12-14)24-21(26)23-15-8-10-17(11-9-15)27-13-20-25-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H2,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...				ACS Med Chem Lett 10: 62-66 (2019) Article DOI: 10.1021/acsmedchemlett.8b00415
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50521299 (CHEMBL4470478) Show SMILES Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1 Show InChI InChI=1S/C21H16ClN3O2S/c22-14-4-3-5-16(12-14)24-21(26)23-15-8-10-17(11-9-15)27-13-20-25-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...				ACS Med Chem Lett 10: 62-66 (2019) Article DOI: 10.1021/acsmedchemlett.8b00415
					More data for this Ligand-Target Pair