Found 36 hits of Enzyme Inhibition Constant Data 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)) | BDBM152712
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50093349
(CHEMBL3586664 | US9951014, Name 19c)Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50093348
(CHEMBL3586663 | US9951014, Name 19b)Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM152713
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50093349
(CHEMBL3586664 | US9951014, Name 19c)Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 55 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50093341
(CHEMBL3586658 | US9951014, Name 10c)Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM152712
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 59 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50093341
(CHEMBL3586658 | US9951014, Name 10c)Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM152713
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 64 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50093344
(CHEMBL3586662 | US9951014, Name 19a)Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM152711
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 98 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50093348
(CHEMBL3586663 | US9951014, Name 19b)Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 105 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50093342
(CHEMBL3586659 | US9951014, Name 10d)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 109 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50093350
(CHEMBL3586657)Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 111 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM152711
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50093344
(CHEMBL3586662 | US9951014, Name 19a)Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 189 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50093350
(CHEMBL3586657)Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50093342
(CHEMBL3586659 | US9951014, Name 10d)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM152712
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 2.15E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50093341
(CHEMBL3586658 | US9951014, Name 10c)Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| 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 Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50093349
(CHEMBL3586664 | US9951014, Name 19c)Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| 3.67E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50093342
(CHEMBL3586659 | US9951014, Name 10d)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.64E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM152713
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 4.85E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM152711
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 5.34E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50093350
(CHEMBL3586657)Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.43E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50093348
(CHEMBL3586663 | US9951014, Name 19b)Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| 5.56E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50093344
(CHEMBL3586662 | US9951014, Name 19a)Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| 8.13E+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 recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM50093341
(CHEMBL3586658 | US9951014, Name 10c)Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.07E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM50093342
(CHEMBL3586659 | US9951014, Name 10d)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.07E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM152712
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.29E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM50093344
(CHEMBL3586662 | US9951014, Name 19a)Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| 1.59E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM152713
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 1.77E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM152711
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.02E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM50093350
(CHEMBL3586657)Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.37E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM50093349
(CHEMBL3586664 | US9951014, Name 19c)Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 2.50E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, endothelial
(Bos taurus (bovine)) | BDBM50093348
(CHEMBL3586663 | US9951014, Name 19b)Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| 3.02E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay |
J Med Chem 58: 5548-60 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |