BDBM50446678 CHEMBL3113620

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12

InChI Key: InChIKey=QUOINBCJRKYLMG-QGZVFWFLSA-N

Data: 1 KI  1 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 = 50446678   

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))	BDBM50446678 (CHEMBL3113620) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C22H20N2O8S/c1-13-6-8-14(9-7-13)33(31,32)24-12-16(15-4-2-3-5-18(15)24)20(27)21(28)23-17(22(29)30)10-11-19(25)26/h2-9,12,17H,10-11H2,1H3,(H,23,28)(H,25,26)(H,29,30)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry				Bioorg Med Chem 22: 1642-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.027 BindingDB Entry DOI: 10.7270/Q2KH0PT3
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50446678 (CHEMBL3113620) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C22H20N2O8S/c1-13-6-8-14(9-7-13)33(31,32)24-12-16(15-4-2-3-5-18(15)24)20(27)21(28)23-17(22(29)30)10-11-19(25)26/h2-9,12,17H,10-11H2,1H3,(H,23,28)(H,25,26)(H,29,30)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA				Bioorg Med Chem 22: 1642-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.027 BindingDB Entry DOI: 10.7270/Q2KH0PT3
					More data for this Ligand-Target Pair