BDBM50102684 CHEMBL92208::N-{(4S)-4-amino-5-[(4-aminobutyl)amino]pentyl}-N'-nitroguanidine
SMILES: NCCCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
InChI Key: InChIKey=STZADRVKDWYFAB-VIFPVBQESA-N
Data: 3 KI
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 (Rattus norvegicus (rat)) | BDBM50102684 (CHEMBL92208 | N-{(4S)-4-amino-5-[(4-aminobutyl)ami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against recombinant rat nNOS. | J Med Chem 44: 2667-70 (2001) BindingDB Entry DOI: 10.7270/Q29K4BX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50102684 (CHEMBL92208 | N-{(4S)-4-amino-5-[(4-aminobutyl)ami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against recombinant murine iNOS. | J Med Chem 44: 2667-70 (2001) BindingDB Entry DOI: 10.7270/Q29K4BX1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50102684 (CHEMBL92208 | N-{(4S)-4-amino-5-[(4-aminobutyl)ami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against recombinant bovine eNOS. | J Med Chem 44: 2667-70 (2001) BindingDB Entry DOI: 10.7270/Q29K4BX1 | |||||||||||
More data for this Ligand-Target Pair |