Found 544 hits of ki data for polymerid = 2225 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
(Mus musculus (mouse)) | BDBM50061231
(2-Amino-5-(N'-propyl-guanidino)-pentanoic acid | C...)Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse |
J Med Chem 40: 3869-70 (1998)
Article DOI: 10.1021/jm970550g BindingDB Entry DOI: 10.7270/Q2C829ZT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330882
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)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+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50055281
(2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...)Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University Medical School
Curated by ChEMBL
| Assay Description Binding affinity against mouse Inducible nitric oxide synthase (iNOS) |
J Med Chem 39: 5110-8 (1997)
Article DOI: 10.1021/jm960481q BindingDB Entry DOI: 10.7270/Q29W0DKZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50328814
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | 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 GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50278675
((+/-)-cis-6-((4-(2-(3-Fluorophenethylamino)-ethoxy...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
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 mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330883
(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)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 GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB 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 Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330875
(CHEMBL1233717 | CHEMBL1278037 | N-{(3S,4R)-4-[(6-a...)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330897
(6-(((3R,4S)-4-(2-(4-fluorobenzylamino)ethoxy)pyrro...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM29234
(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330873
(CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccccc2)c1 |r| Show InChI InChI=1S/C21H31N5/c1-16-11-19(26-21(22)12-16)13-18-14-24-15-20(18)25-10-9-23-8-7-17-5-3-2-4-6-17/h2-6,11-12,18,20,23-25H,7-10,13-15H2,1H3,(H2,22,26)/t18-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330874
(CHEMBL1277787 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)/t17-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50095172
(CHEMBL262040 | N-(3-Aminomethyl-phenyl)-thiophene-...)Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition against induced Nitric Oxide Synthase(iNOS) |
Bioorg Med Chem Lett 10: 2771-4 (2000)
BindingDB Entry DOI: 10.7270/Q23B60NS |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50095181
(CHEMBL96680 | N-(3-Aminomethyl-phenyl)-furan-2-car...)Show InChI InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition against induced Nitric Oxide Synthase(iNOS) |
Bioorg Med Chem Lett 10: 2771-4 (2000)
BindingDB Entry DOI: 10.7270/Q23B60NS |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM152698
((S)-2-Amino-5-formimidamidopentanoic acid (7))Show InChI InChI=1S/C6H13N3O2/c7-4-9-3-1-2-5(8)6(10)11/h4-5H,1-3,8H2,(H2,7,9)(H,10,11)/t5-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 180 | n/a | 400 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Northwestern University
| Assay Description The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen... |
Biochemistry 54: 2530-8 (2015)
Article DOI: 10.1021/acs.biochem.5b00135 BindingDB Entry DOI: 10.7270/Q23B5XWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM29235
(aminopyridine-pyrrolidine, 7)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50438638
(CHEMBL2414426)Show InChI InChI=1S/C17H24N4/c1-12-8-14(20-16(18)10-12)6-4-3-5-7-15-9-13(2)11-17(19)21-15/h8-11H,3-7H2,1-2H3,(H2,18,20)(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 375 | 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 mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea... |
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 | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM29233
(CHEMBL508014 | aminopyridine-pyrrolidine, 5)Show InChI InChI=1S/C12H21N5/c13-4-5-16-11-8-15-7-9(11)6-10-2-1-3-12(14)17-10/h1-3,9,11,15-16H,4-8,13H2,(H2,14,17)/t9-,11+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 388 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330869
(CHEMBL1277601 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r| Show InChI InChI=1S/C20H27Cl2N5/c1-13-6-16(27-20(23)7-13)9-15-11-25-12-19(15)26-5-4-24-10-14-2-3-17(21)18(22)8-14/h2-3,6-8,15,19,24-26H,4-5,9-12H2,1H3,(H2,23,27)/t15-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 414 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330870
(CHEMBL1277602 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N5/c1-13-6-17(27-20(23)7-13)8-15-11-25-12-19(15)26-5-4-24-10-14-2-3-16(21)9-18(14)22/h2-3,6-7,9,15,19,24-26H,4-5,8,10-12H2,1H3,(H2,23,27)/t15-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 483 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330895
(CHEMBL1277327 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330871
(CHEMBL1277693 | trans rac-(S)-N1-(4-((6-amino-4-me...)Show SMILES C[C@@H](CN[C@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H30ClN5/c1-14-7-19(27-21(23)8-14)9-17-12-24-13-20(17)26-10-15(2)25-11-16-3-5-18(22)6-4-16/h3-8,15,17,20,24-26H,9-13H2,1-2H3,(H2,23,27)/t15-,17-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 589 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330862
(CHEMBL1276118 | CHEMBL1276167 | trans rac-N1-(4-((...)Show InChI InChI=1S/C13H23N5/c1-9-4-11(18-13(15)5-9)6-10-7-16-8-12(10)17-3-2-14/h4-5,10,12,16-17H,2-3,6-8,14H2,1H3,(H2,15,18)/t10-,12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50061232
(2-Amino-5-(N'-prop-2-ynyl-guanidino)-pentanoic aci...)Show InChI InChI=1S/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse |
J Med Chem 40: 3869-70 (1998)
Article DOI: 10.1021/jm970550g BindingDB Entry DOI: 10.7270/Q2C829ZT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330868
(CHEMBL1277509 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cccc(CNCCN[C@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r| Show InChI InChI=1S/C21H31N5/c1-15-4-3-5-17(8-15)12-23-6-7-25-20-14-24-13-18(20)11-19-9-16(2)10-21(22)26-19/h3-5,8-10,18,20,23-25H,6-7,11-14H2,1-2H3,(H2,22,26)/t18-,20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50341684
(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)Show InChI InChI=1S/C22H26N4/c1-15-10-19(25-21(23)12-15)8-6-17-4-3-5-18(14-17)7-9-20-11-16(2)13-22(24)26-20/h3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| US Patent
| 682 | 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, inducible
(Mus musculus (mouse)) | BDBM50341684
(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)Show InChI InChI=1S/C22H26N4/c1-15-10-19(25-21(23)12-15)8-6-17-4-3-5-18(14-17)7-9-20-11-16(2)13-22(24)26-20/h3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 682 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysis |
J Med Chem 54: 2039-48 (2011)
Article DOI: 10.1021/jm101071n BindingDB Entry DOI: 10.7270/Q2571CB0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50095177
(CHEMBL503356 | CHEMBL542185 | Pyrazole-1-carboxami...)Show InChI InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition against induced Nitric Oxide Synthase(iNOS) |
Bioorg Med Chem Lett 10: 2771-4 (2000)
BindingDB Entry DOI: 10.7270/Q23B60NS |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330867
(CHEMBL1277508 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H28F3N5/c1-14-7-18(29-20(25)8-14)10-16-12-27-13-19(16)28-6-5-26-11-15-3-2-4-17(9-15)21(22,23)24/h2-4,7-9,16,19,26-28H,5-6,10-13H2,1H3,(H2,25,29)/t16-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330896
(CHEMBL1277419 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H28F3N5/c1-14-8-18(29-20(25)9-14)10-16-12-27-13-19(16)28-7-6-26-11-15-2-4-17(5-3-15)21(22,23)24/h2-5,8-9,16,19,26-28H,6-7,10-13H2,1H3,(H2,25,29)/t16-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50070042
(CHEMBL3407810)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, inducible
(Mus musculus (mouse)) | BDBM50526363
(CHEMBL4440481)Show InChI InChI=1S/C19H25F2N3/c1-13-9-16(23-18(22)10-13)7-6-15-11-14(5-4-8-24(2)3)12-17(20)19(15)21/h9-12H,4-8H2,1-3H3,(H2,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 823 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO... |
J Med Chem 62: 2690-2707 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02032 BindingDB Entry DOI: 10.7270/Q2H998NM |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50429228
(CHEMBL2332789)Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa... |
Bioorg Med Chem 21: 1333-43 (2013)
Article DOI: 10.1016/j.bmc.2012.12.019 BindingDB Entry DOI: 10.7270/Q20G3MG9 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50330866
(CHEMBL1277420 | trans rac-N1-(4-((6-amino-4-methyl...)Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C20H28FN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant iNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50070041
(CHEMBL3407811)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 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)) | BDBM202651
(US9242957, QJ-II-194)Show SMILES N=C(Nc1cccc(COC[C@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r| Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-13-37-26)33-22-7-1-5-20(15-22)17-35-19-24-25(11-12-32-24)36-18-21-6-2-8-23(16-21)34-29(31)27-10-4-14-38-27/h1-10,13-16,24-25,32H,11-12,17-19H2,(H2,30,33)(H2,31,34)/t24-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 1.11E+3 | 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, inducible
(Mus musculus (mouse)) | BDBM50023383
(CHEMBL3325611)Show SMILES N=C(Nc1cccc(COC[C@@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r| Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse macrophage iNOS 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, inducible
(Mus musculus (mouse)) | BDBM152720
(N-[3-({[(3S,5S)-5-({[3-(thiophene-2-imidamido)phen...)Show SMILES N=C(Nc1cccc(COC[C@@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r| Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| US Patent
| 1.23E+3 | 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, inducible
(Mus musculus (mouse)) | BDBM152723
(N-[3-({[(3S,5R)-5-({[3-(thiophene-2-imidamido)phen...)Show SMILES N=C(Nc1cccc(COC[C@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 |r| Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse macrophage iNOS 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, inducible
(Mus musculus (mouse)) | BDBM50526361
(CHEMBL4532683)Show SMILES CN1CCC[C@@H]1CCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 |r| Show InChI InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO... |
J Med Chem 62: 2690-2707 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02032 BindingDB Entry DOI: 10.7270/Q2H998NM |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM202643
(US9242957, 7)Show SMILES N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1 Show InChI InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| US Patent
| 1.30E+3 | 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, inducible
(Mus musculus (mouse)) | BDBM50448825
(CHEMBL3128245)Show SMILES NC(=Nc1cccc(CCNCc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1 |w:18.18,2.2| Show InChI InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for ... |
J Med Chem 57: 686-700 (2014)
Article DOI: 10.1021/jm401252e BindingDB Entry DOI: 10.7270/Q2SF2XNP |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50072297
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University at Buffalo
Curated by ChEMBL
| Assay Description Compound was tested for competitive antagonist of Nitric oxide synthase |
Bioorg Med Chem Lett 10: 1077-80 (2000)
BindingDB Entry DOI: 10.7270/Q2959GSN |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50341682
(6,6'-(2,2'-(Pyridine-3,5-diyl)bis(ethane-2,1-diyl)...)Show InChI InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| 1.45E+3 | 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, inducible
(Mus musculus (mouse)) | BDBM50014710
(CHEMBL3262019 | US10759791, Compound 4)Show SMILES Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| US Patent
| 1.45E+3 | 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, inducible
(Mus musculus (mouse)) | BDBM50341682
(6,6'-(2,2'-(Pyridine-3,5-diyl)bis(ethane-2,1-diyl)...)Show InChI InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of mouse macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysis |
J Med Chem 54: 2039-48 (2011)
Article DOI: 10.1021/jm101071n BindingDB Entry DOI: 10.7270/Q2571CB0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM190668
(US10759791, Compound 14k | nNOS inhibitor, 6)Show InChI InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production me... |
J Med Chem 59: 4913-25 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00273 BindingDB Entry DOI: 10.7270/Q2J38VHQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM190668
(US10759791, Compound 14k | nNOS inhibitor, 6)Show InChI InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| US Patent
| 1.49E+3 | 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 | |