Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50012580   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120682 (3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium;...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/p+1/t7-,8+,9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120681 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@@H]1N=C(N)[C@@H](O)[C@@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120679 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@H]1N=C(N)[C@H](O)[C@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120683 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@@H]1N=C(N)[C@H](O)[C@@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120680 (5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50120680 (5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120679 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@H]1N=C(N)[C@H](O)[C@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120681 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@@H]1N=C(N)[C@@H](O)[C@@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120680 (5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory activity against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120680 (5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120682 (3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium;...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/p+1/t7-,8+,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50120683 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@@H]1N=C(N)[C@H](O)[C@@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Neuronal nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50120680 (5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory activity against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50120680 (5-Imino-3-methyl-2-pentyl-pyrrolidinium; chloride ...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)C[C@H]1C Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/p+1/t8-,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Inducible nitric oxide synthase (iNOS)				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50120679 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@H]1N=C(N)[C@H](O)[C@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50120681 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@@H]1N=C(N)[C@@H](O)[C@@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50120682 (3-Hydroxy-2-imino-4-methyl-5-pentyl-pyrrolidinium;...) Show SMILES CCCCC[C@H]1[NH2+]C(=N)[C@@H](O)[C@H]1C Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/p+1/t7-,8+,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.98E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory activity against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50120683 (2-Imino-4-methyl-5-pentyl-pyrrolidin-3-ol | CHEMBL...) Show SMILES CCCCC[C@@H]1N=C(N)[C@H](O)[C@@H]1C |t:6| Show InChI InChI=1S/C10H20N2O/c1-3-4-5-6-8-7(2)9(13)10(11)12-8/h7-9,13H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.93E+6	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory concentration of the compound was tested against Endothelial nitric oxide synthase				Bioorg Med Chem Lett 12: 3337-9 (2002) BindingDB Entry DOI: 10.7270/Q22F7MS4
					More data for this Ligand-Target Pair