BDBM50352516 CHEMBL1614783
SMILES: Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccc(F)cc2)c1
InChI Key: InChIKey=IFVHOVCZGYECQL-BEFAXECRSA-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, brain (Rattus norvegicus (rat)) | BDBM50352516 (CHEMBL1614783) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay | J Med Chem 54: 6399-403 (2011) Article DOI: 10.1021/jm200411j BindingDB Entry DOI: 10.7270/Q2TX3FRR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50352516 (CHEMBL1614783) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay | J Med Chem 54: 6399-403 (2011) Article DOI: 10.1021/jm200411j BindingDB Entry DOI: 10.7270/Q2TX3FRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50352516 (CHEMBL1614783) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of mouse iNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay | J Med Chem 54: 6399-403 (2011) Article DOI: 10.1021/jm200411j BindingDB Entry DOI: 10.7270/Q2TX3FRR | |||||||||||
More data for this Ligand-Target Pair |