BDBM50446680 CHEMBL3113618

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12

InChI Key: InChIKey=YQBGIYDQROGXLK-XMMPIXPASA-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 = 50446680   

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))	BDBM50446680 (CHEMBL3113618) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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))	BDBM50446680 (CHEMBL3113618) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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