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SMILES: Cc1ccc(CSc2ncn(n2)-c2ccccc2)cc1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50572160   

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
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM50572160 (CHEMBL1452107) Show SMILES Cc1ccc(CSc2ncn(n2)-c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 15-LOX-2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.bmc.2021.116349 BindingDB Entry DOI: 10.7270/Q2HX1HF0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM50572160 (CHEMBL1452107) Show SMILES Cc1ccc(CSc2ncn(n2)-c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human 15-LOX-2 expressed in HEK293T cells assessed as a reduction in 15-HETE production using arachidonic acid as substrate incubated f...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116349 BindingDB Entry DOI: 10.7270/Q2HX1HF0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX15B (Homo sapiens (Human))	BDBM50572160 (CHEMBL1452107) Show SMILES Cc1ccc(CSc2ncn(n2)-c2ccccc2)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human 15-LOX-2 assessed as equilibrium dissociation constant from catalytic site by measuring 15-HpETE by Dixon plots and D...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116349 BindingDB Entry DOI: 10.7270/Q2HX1HF0
					More data for this Ligand-Target Pair				3D Structure (crystal)