Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (MOUSE) | BDBM50033531 (CHEMBL333410 | N-[1-(2-Hydroxy-2-phenyl-ethyl)-3-m...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid UniChem Similars | PubMed | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50110268 (CHEMBL2369895 | CSNLSTCVLGKLSQELc[DKLQK]YPRTNTGSGT...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50024170 (CHEMBL2369912) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50110272 (CHEMBL2369907 | CSNLSTCVLGKLSQELc[DKLHK]YPRTNTGSGT...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033533 (CHEMBL121403 | N-[(3R,4R)-1-((S)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50110265 (CHEMBL2369886 | CSNLSTCVLGKLSQELc[DKLHO]YPRTNTGSGT...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50110275 (CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide | CHEMBL2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.0690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033534 (CHEMBL338510 | N-[(3S,4S)-1-((S)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033536 (CHEMBL121494 | N-[(3R,4R)-1-((R)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033530 (CHEMBL121211 | N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033530 (CHEMBL121211 | N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50412340 (CHEMBL540359) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M1 receptor expressed in CHO cells by scintillation proximity assay | J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50110273 (CGNLSTCMLGTYTQDFc[DKFHK]FPQTAIGVGAP-amide | CHEMBL...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033537 (CHEMBL121060 | N-[(3S,4R)-1-((S)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50412340 (CHEMBL540359) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 by scintillatio... | J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM202644 (US9242957, 8) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM202643 (US9242957, 7) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human)) | BDBM50110267 (CGNLSTCBLGTYTQDFNKFHZYPQTAIGVGAP-amide | CHEMBL236...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells | J Med Chem 45: 1108-21 (2002) BindingDB Entry DOI: 10.7270/Q2N015V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50033532 (CHEMBL435380 | N-[(3S,4R)-1-((R)-2-Hydroxy-2-pheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | J Med Chem 38: 3652-9 (1995) BindingDB Entry DOI: 10.7270/Q2BP01V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50328814 ((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 7 | 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 recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6... | Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50446250 (CHEMBL3109188 | US9732037, Compound 9) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9.70 | 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 overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea... | ACS Med Chem Lett 5: 56-60 (2014) Article DOI: 10.1021/ml400381s BindingDB Entry DOI: 10.7270/Q2GT5PMG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50446250 (CHEMBL3109188 | US9732037, Compound 9) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre... | US Patent US9732037 (2017) BindingDB Entry DOI: 10.7270/Q26W9D6H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM196648 (US9212144, 3 | US9242957, 65) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM190667 (US10759791, Compound 14j | nNOS inhibitor, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50023383 (CHEMBL3325611) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | 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 using L-arginine substrate | Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM190667 (US10759791, Compound 14j | nNOS inhibitor, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM202651 (US9242957, QJ-II-194) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50023384 (CHEMBL3325610 | US9242957, QJ-II-203) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50023384 (CHEMBL3325610 | US9242957, QJ-II-203) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | 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 using L-arginine substrate | Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM190667 (US10759791, Compound 14j | nNOS inhibitor, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Rattus norvegicus) | BDBM190667 (US10759791, Compound 14j | nNOS inhibitor, 5) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | US Patent | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM152712 (4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM152712 (4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Rattus norvegicus) | BDBM152712 (4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM152723 (N-[3-({[(3S,5R)-5-({[3-(thiophene-2-imidamido)phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 21 | 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 using L-arginine substrate | Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM152720 (N-[3-({[(3S,5S)-5-({[3-(thiophene-2-imidamido)phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM152720 (N-[3-({[(3S,5S)-5-({[3-(thiophene-2-imidamido)phen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 22 | 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 using L-arginine substrate | Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM202649 (US9242957, QJ-II-195) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 22.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB US Patent | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50014717 (CHEMBL3262026 | US10759791, Compound 8R | US995101...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50014717 (CHEMBL3262026 | US10759791, Compound 8R | US995101...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50014710 (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Rattus norvegicus) | BDBM190668 (US10759791, Compound 14k | nNOS inhibitor, 6) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50341682 (6,6'-(2,2'-(Pyridine-3,5-diyl)bis(ethane-2,1-diyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50341682 (6,6'-(2,2'-(Pyridine-3,5-diyl)bis(ethane-2,1-diyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM190668 (US10759791, Compound 14k | nNOS inhibitor, 6) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB US Patent | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50446252 (CHEMBL3109186 | US9732037, Compound 6) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB 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 recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea... | ACS Med Chem Lett 5: 56-60 (2014) Article DOI: 10.1021/ml400381s BindingDB Entry DOI: 10.7270/Q2GT5PMG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50446252 (CHEMBL3109186 | US9732037, Compound 6) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre... | US Patent US9732037 (2017) BindingDB Entry DOI: 10.7270/Q26W9D6H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM202653 (US9242957, QJ-III-33) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50023386 (CHEMBL3327299) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | 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 using L-arginine substrate | Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57 | |||||||||||
More data for this Ligand-Target Pair |
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