BDBM36402 (3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 15::CID24894154

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

InChI Key: InChIKey=JIIBOYBTIWHZFJ-SSDOTTSWSA-N

Data: 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 3 hits for monomerid = 36402   

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))	BDBM36402 ((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1 |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-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM36402 ((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1 |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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM36402 ((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1 |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-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair