BDBM50049250 CHEMBL306541::[1,3]Thiazinan-(2E)-ylideneamine::[1,3]Thiazinan-(2Z)-ylideneamine
SMILES: NC1=NCCCS1
InChI Key: InChIKey=PQXQEOIFIUJLIE-UHFFFAOYSA-N
Data: 4 IC50
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, endothelial (Homo sapiens (Human)) | BDBM50049250 (CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against human Endothelial nitric oxide synthase | J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50049250 (CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR. | J Med Chem 42: 2227-34 (1999) Article DOI: 10.1021/jm980721x BindingDB Entry DOI: 10.7270/Q23X89CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50049250 (CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against human Neuronal nitric oxide synthase | J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50049250 (CHEMBL306541 | [1,3]Thiazinan-(2E)-ylideneamine | ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle Research and Development Curated by ChEMBL | Assay Description Inhibitory activity against human inducible nitric oxide synthase | J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M | |||||||||||
More data for this Ligand-Target Pair |