BDBM50526373 CHEMBL4590333
SMILES: CN1CC[C@@H]1CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
InChI Key: InChIKey=STGWAFUVRUKRNW-KRWDZBQOSA-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 (Homo sapiens (Human)) | BDBM50526373 (CHEMBL4590333) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 23 | 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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemog... | J Med Chem 62: 2690-2707 (2019) Article DOI: 10.1021/acs.jmedchem.8b02032 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50526373 (CHEMBL4590333) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 26 | 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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglo... | J Med Chem 62: 2690-2707 (2019) Article DOI: 10.1021/acs.jmedchem.8b02032 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50526373 (CHEMBL4590333) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 1.78E+3 | 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 human iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO... | J Med Chem 62: 2690-2707 (2019) Article DOI: 10.1021/acs.jmedchem.8b02032 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM50526373 (CHEMBL4590333) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 2.06E+3 | 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 using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO... | J Med Chem 62: 2690-2707 (2019) Article DOI: 10.1021/acs.jmedchem.8b02032 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50526373 (CHEMBL4590333) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 2.20E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by he... | J Med Chem 62: 2690-2707 (2019) Article DOI: 10.1021/acs.jmedchem.8b02032 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |