BDBM50148167 4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carbonyl)benzonitrile::4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile::4-[4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbonyl]-benzonitrile::4-[4-[(4-Methoxypyridin-2-yl)amino]piperidine-1-carbonyl]benzonitrile, 12::CHEMBL114500
SMILES: COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(cc2)C#N)c1
InChI Key: InChIKey=SZUVGMCKKLJAFX-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)) | BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 74 | 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, endothelial (Homo sapiens (Human)) | BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents 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 | |||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description In vitro inhibition of human endothelial nitric oxide synthase. | J Med Chem 47: 3320-3 (2004) Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description In vitro inhibition of human neuronal nitric oxide synthase. | J Med Chem 47: 3320-3 (2004) Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood Curated by ChEMBL | Assay Description In vitro inhibition of human Inducible nitric oxide synthase. | J Med Chem 47: 3320-3 (2004) Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 6.00E+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 |