BDBM50124533 2-methylsulfanylethyl 4'-amino-5'-fluorospiro[hexahydropyridine-4,2'-(1',2'-dihydroquinazoline)]-1-carboxylate::CHEMBL173505

SMILES: CSCCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2

InChI Key: InChIKey=IFZDZYMEXBLWFK-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50124533   

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, inducible (Homo sapiens (Human))	BDBM50124533 (2-methylsulfanylethyl 4'-amino-5'-fluorospiro[hexa...) Show SMILES CSCCOC(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:24| Show InChI InChI=1S/C16H21FN4O2S/c1-24-10-9-23-15(22)21-7-5-16(6-8-21)19-12-4-2-3-11(17)13(12)14(18)20-16/h2-4,19H,5-10H2,1H3,(H2,18,20)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R& D Charnwood Curated by ChEMBL					Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase				J Med Chem 46: 913-6 (2003) Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M
					More data for this Ligand-Target Pair