BDBM50123670 CHEMBL3622736

SMILES: CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@H](C)CCCC(C)C

InChI Key: InChIKey=UMWSDKOJAYNGGO-CQSZACIVSA-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 = 50123670   

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 15-lipoxygenase (Homo sapiens (Human))	BDBM50123670 (CHEMBL3622736) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@H](C)CCCC(C)C |r| Show InChI InChI=1S/C21H28ClNO3/c1-5-26-21(25)20-19(16-10-9-15(22)12-17(16)23-20)18(24)11-14(4)8-6-7-13(2)3/h9-10,12-14,23H,5-8,11H2,1-4H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis				J Med Chem 58: 7850-62 (2015) BindingDB Entry DOI: 10.7270/Q28P62BK
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50123670 (CHEMBL3622736) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@H](C)CCCC(C)C |r| Show InChI InChI=1S/C21H28ClNO3/c1-5-26-21(25)20-19(16-10-9-15(22)12-17(16)23-20)18(24)11-14(4)8-6-7-13(2)3/h9-10,12-14,23H,5-8,11H2,1-4H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human 15-LOX1 assessed as conversion of linoleic acid to 13(S)-HpODE after 10 mins by UV analysis				J Med Chem 58: 7850-62 (2015) BindingDB Entry DOI: 10.7270/Q28P62BK
					More data for this Ligand-Target Pair