BDBM36397 (4-Amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(aminomethyl)phenyl]methanone, 4::CID24894149
SMILES: NCc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2
InChI Key: InChIKey=SFPCNWQWKOUNRT-UHFFFAOYSA-N
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)) | BDBM36397 ((4-Amino-5-fluorospiro[1H-quinazoline-2,4'-pip...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 130 | 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 | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM36397 ((4-Amino-5-fluorospiro[1H-quinazoline-2,4'-pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >7.80E+3 | 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)) | BDBM36397 ((4-Amino-5-fluorospiro[1H-quinazoline-2,4'-pip...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | 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 |