BDBM50350394 CHEMBL528045

SMILES: CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O

InChI Key: InChIKey=UZLBHGBBHNHZNS-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50350394   

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
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50350394 (CHEMBL528045) Show SMILES CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as 12-HPETE formation using arachidonic acid by by Mi...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50350394 (CHEMBL528045) Show SMILES CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50350394 (CHEMBL528045) Show SMILES CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by ...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50350394 (CHEMBL528045) Show SMILES CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
					More data for this Ligand-Target Pair