BindingDB PrimarySearch

Found 1960 hits with Last Name = 'jin' and Initial = 'q'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mu-type opioid receptor (MOUSE)	BDBM50033531 (CHEMBL333410 \| N-[1-(2-Hydroxy-2-phenyl-ethyl)-3-m...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50110268 (CHEMBL2369895 \| CSNLSTCVLGKLSQELc[DKLQK]YPRTNTGSGT...) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50024170 (CHEMBL2369912) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50110272 (CHEMBL2369907 \| CSNLSTCVLGKLSQELc[DKLHK]YPRTNTGSGT...) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033533 (CHEMBL121403 \| N-[(3R,4R)-1-((S)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50110265 (CHEMBL2369886 \| CSNLSTCVLGKLSQELc[DKLHO]YPRTNTGSGT...) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50110275 (CGNLSTCBLGTYTQDF[DKFHO]YPQTAIGVGAP-amide \| CHEMBL2...) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033534 (CHEMBL338510 \| N-[(3S,4S)-1-((S)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033536 (CHEMBL121494 \| N-[(3R,4R)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033530 (CHEMBL121211 \| N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033530 (CHEMBL121211 \| N-[(3S,4S)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50412340 (CHEMBL540359) Show SMILES Show InChI	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50110273 (CGNLSTCMLGTYTQDFc[DKFHK]FPQTAIGVGAP-amide \| CHEMBL...) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033537 (CHEMBL121060 \| N-[(3S,4R)-1-((S)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50412340 (CHEMBL540359) Show SMILES Show InChI	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM202644 (US9242957, 8) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM202643 (US9242957, 7) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform 1 of Calcitonin receptor (1) (Homo sapiens (Human))	BDBM50110267 (CGNLSTCBLGTYTQDFNKFHZYPQTAIGVGAP-amide \| CHEMBL236...) Show SMILES Show InChI	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
Rutgers University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50033532 (CHEMBL435380 \| N-[(3S,4R)-1-((R)-2-Hydroxy-2-pheny...) Show SMILES Show InChI	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
Institute of Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50328814 ((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50446250 (CHEMBL3109188 \| US9732037, Compound 9) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50446250 (CHEMBL3109188 \| US9732037, Compound 9) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM196648 (US9212144, 3 \| US9242957, 65) Show SMILES Fc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1 Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM190667 (US10759791, Compound 14j \| nNOS inhibitor, 5) Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50023383 (CHEMBL3325611) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM190667 (US10759791, Compound 14j \| nNOS inhibitor, 5) Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM202651 (US9242957, QJ-II-194) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50023384 (CHEMBL3325610 \| US9242957, QJ-II-203) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50023384 (CHEMBL3325610 \| US9242957, QJ-II-203) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM190667 (US10759791, Compound 14j \| nNOS inhibitor, 5) Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Rattus norvegicus)	BDBM190667 (US10759791, Compound 14j \| nNOS inhibitor, 5) Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					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...) Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Astex					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...) Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					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...) Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					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...) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					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...) Show SMILES Show InChI	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
Northwestern University US Patent					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...) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM202649 (US9242957, QJ-II-195) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50093349 (CHEMBL3586664 \| US9951014, Name 19c) Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI	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
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50014717 (CHEMBL3262026 \| US10759791, Compound 8R \| US995101...) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50014717 (CHEMBL3262026 \| US10759791, Compound 8R \| US995101...) Show SMILES Show InChI	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
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50014710 (CHEMBL3262019 \| US10759791, Compound 4) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Rattus norvegicus)	BDBM190668 (US10759791, Compound 14k \| nNOS inhibitor, 6) Show SMILES CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					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)...) Show SMILES Show InChI	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
Northwestern University US Patent					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)...) Show SMILES Show InChI	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
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM190668 (US10759791, Compound 14k \| nNOS inhibitor, 6) Show SMILES CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50446252 (CHEMBL3109186 \| US9732037, Compound 6) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50446252 (CHEMBL3109186 \| US9732037, Compound 6) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM202653 (US9242957, QJ-III-33) Show SMILES Show InChI	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
Northwestern University US Patent					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50023386 (CHEMBL3327299) Show SMILES Show InChI	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
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair

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