BDBM50392587 CHEMBL1230023

SMILES: CCC[C@H]1COc2ccsc2C(N)=N1

InChI Key: InChIKey=JIIBOYBTIWHZFJ-ZETCQYMHSA-N

Data: 2 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 = 50392587   

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
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50392587 (CHEMBL1230023) Show SMILES CCC[C@H]1COc2ccsc2C(N)=N1 |r,c:13| Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of wild type human eNOS using L-Arg as substrate incubated for 1 hr prior to L-Arg addition				Eur J Med Chem 58: 117-27 (2012) Article DOI: 10.1016/j.ejmech.2012.10.010 BindingDB Entry DOI: 10.7270/Q29024XX
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50392587 (CHEMBL1230023) Show SMILES CCC[C@H]1COc2ccsc2C(N)=N1 |r,c:13| Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of wild type human iNOS expressed in Escherichia coli BL21(DE3) using L-Arg as substrate incubated for 1 hr prior to L-Arg addition				Eur J Med Chem 58: 117-27 (2012) Article DOI: 10.1016/j.ejmech.2012.10.010 BindingDB Entry DOI: 10.7270/Q29024XX
					More data for this Ligand-Target Pair