BDBM50271827 2-Isopropyl-isothiourea::CHEMBL483091::S-ISOPROPYL-ISOTHIOUREA

SMILES: CC(C)SC(N)=N

InChI Key: InChIKey=XSSNABKEYXKKMK-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50271827   

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, brain (Homo sapiens (Human))	BDBM50271827 (2-Isopropyl-isothiourea | CHEMBL483091 | S-ISOPROP...) Show SMILES CC(C)SC(N)=N Show InChI InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline				Bioorg Med Chem 16: 6193-206 (2008) Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040
					More data for this Ligand-Target Pair