Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50045599   

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, brain (Rattus norvegicus (rat))	BDBM50070060 (CHEMBL3407822) Show SMILES Cl.Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070041 (CHEMBL3407811) Show SMILES Cl.Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070039 (CHEMBL3407813) Show SMILES Cl.Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070038 (CHEMBL3407814) Show SMILES Cl.C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6.ClH/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23;/h2,4,6,8,10-14,18H,1,3,5,7,9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070040 (CHEMBL3407812) Show SMILES Cl.Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25;/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50255365 ((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070038 (CHEMBL3407814) Show SMILES Cl.C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6.ClH/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23;/h2,4,6,8,10-14,18H,1,3,5,7,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070041 (CHEMBL3407811) Show SMILES Cl.Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070060 (CHEMBL3407822) Show SMILES Cl.Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070037 (CHEMBL3407815) Show SMILES Cl.N#Cc1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6.ClH/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23;/h1-3,5,7-10,13,19H,4,6,12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070043 (CHEMBL3407809) Show SMILES Cl.Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5.ClH/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23;/h1-3,6,9-13,19H,4-5,7-8H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070059 (CHEMBL3407823) Show SMILES Cl.Fc1cccc(C[C@H]2C[C@@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070037 (CHEMBL3407815) Show SMILES Cl.N#Cc1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6.ClH/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23;/h1-3,5,7-10,13,19H,4,6,12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human sigma-1 receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human adrenergic alpha-2C receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070061 (CHEMBL3407821) Show SMILES Cl.Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070039 (CHEMBL3407813) Show SMILES Cl.Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070040 (CHEMBL3407812) Show SMILES Cl.Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25;/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	359	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070058 (CHEMBL3407806) Show SMILES Cl.Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H19FN6.ClH/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24;/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human dopamine D3 receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human 5-HT2A receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human 5-HT1A receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070043 (CHEMBL3407809) Show SMILES Cl.Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5.ClH/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23;/h1-3,6,9-13,19H,4-5,7-8H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	758	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070059 (CHEMBL3407823) Show SMILES Cl.Fc1cccc(C[C@H]2C[C@@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	873	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070041 (CHEMBL3407811) Show SMILES Cl.Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070043 (CHEMBL3407809) Show SMILES Cl.Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5.ClH/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23;/h1-3,6,9-13,19H,4-5,7-8H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070038 (CHEMBL3407814) Show SMILES Cl.C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6.ClH/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23;/h2,4,6,8,10-14,18H,1,3,5,7,9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070040 (CHEMBL3407812) Show SMILES Cl.Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25;/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070060 (CHEMBL3407822) Show SMILES Cl.Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070057 (CHEMBL3407808) Show SMILES Cl.Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5.ClH/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23;/h1,3,5-6,8-11,13,19H,2,4,7,12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070039 (CHEMBL3407813) Show SMILES Cl.Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070059 (CHEMBL3407823) Show SMILES Cl.Fc1cccc(C[C@H]2C[C@@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070037 (CHEMBL3407815) Show SMILES Cl.N#Cc1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6.ClH/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23;/h1-3,5,7-10,13,19H,4,6,12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070040 (CHEMBL3407812) Show SMILES Cl.Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25;/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070043 (CHEMBL3407809) Show SMILES Cl.Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5.ClH/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23;/h1-3,6,9-13,19H,4-5,7-8H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070068 (CHEMBL3407805 | US9878996, Compound 2) Show SMILES Fc1cccc(CCN2CCN(CC2)c2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C19H21FN6/c20-17-3-1-2-16(14-17)5-8-24-10-12-25(13-11-24)18-4-6-22-19(23-18)26-9-7-21-15-26/h1-4,6-7,9,14-15H,5,8,10-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070066 (CHEMBL3407816) Show SMILES Cl.Fc1cccc(CCNCCc2cncc(c2)-n2ccnc2)c1 Show InChI InChI=1S/C18H19FN4.ClH/c19-17-3-1-2-15(10-17)4-6-20-7-5-16-11-18(13-22-12-16)23-9-8-21-14-23;/h1-3,8-14,20H,4-7H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070058 (CHEMBL3407806) Show SMILES Cl.Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H19FN6.ClH/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24;/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070041 (CHEMBL3407811) Show SMILES Cl.Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20ClN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070067 (CHEMBL3407807) Show SMILES Cl.Fc1cccc(CCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C16H16FN5.ClH/c17-14-3-1-2-13(10-14)4-6-18-11-15-5-7-20-16(21-15)22-9-8-19-12-22;/h1-3,5,7-10,12,18H,4,6,11H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070060 (CHEMBL3407822) Show SMILES Cl.Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1 |r| Show InChI InChI=1S/C19H20FN5.ClH/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25;/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2;1H/t15-,18-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070037 (CHEMBL3407815) Show SMILES Cl.N#Cc1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H16N6.ClH/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23;/h1-3,5,7-10,13,19H,4,6,12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50070057 (CHEMBL3407808) Show SMILES Cl.Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C17H18FN5.ClH/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23;/h1,3,5-6,8-11,13,19H,2,4,7,12H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50070038 (CHEMBL3407814) Show SMILES Cl.C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1 Show InChI InChI=1S/C17H20N6.ClH/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23;/h2,4,6,8,10-14,18H,1,3,5,7,9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070063 (CHEMBL3407819) Show SMILES Cl.Cc1nccn1-c1nccc(CCNCCCc2cccc(F)c2)n1 Show InChI InChI=1S/C19H22FN5.ClH/c1-15-22-12-13-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)14-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair

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