BDBM50427864 CHEMBL2326359
SMILES: Cc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1
InChI Key: InChIKey=KSYDDSWEHNSQGZ-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 |
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Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50427864 (CHEMBL2326359) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 110 | 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 recombinant nNOS expressed in Escherichia coli using L-arginine as substrate | J Med Chem 56: 3024-32 (2013) Article DOI: 10.1021/jm4000984 BindingDB Entry DOI: 10.7270/Q23T9JJ1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50427864 (CHEMBL2326359) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 2.19E+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 mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate | J Med Chem 56: 3024-32 (2013) Article DOI: 10.1021/jm4000984 BindingDB Entry DOI: 10.7270/Q23T9JJ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50427864 (CHEMBL2326359) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.34E+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 recombinant eNOS expressed in Escherichia coli using L-arginine as substrate | J Med Chem 56: 3024-32 (2013) Article DOI: 10.1021/jm4000984 BindingDB Entry DOI: 10.7270/Q23T9JJ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase (bsNOS) (Bacillus subtilis (Firmicutes)) | BDBM50427864 (CHEMBL2326359) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 8.61E+3 | n/a | n/a | n/a | n/a | n/a |
University of California, Irvine | Assay Description In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi... | Biochemistry 54: 4075-82 (2015) Article DOI: 10.1021/acs.biochem.5b00431 BindingDB Entry DOI: 10.7270/Q2Q23Z0J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |