Found 122 hits of ec50 data for polymerid = 3609 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29270
(quinolinone, 40)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H14ClF2N3O2S/c1-11-20(30-10-25-11)21(29)27(14-4-2-3-13(22)8-14)9-12-7-17(28)26-19-15(12)5-6-16(23)18(19)24/h2-8,10H,9H2,1H3,(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29273
(quinolinone, 43)Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H16ClF2N3O3/c1-11-19(12(2)31-27-11)22(30)28(15-5-3-4-14(23)9-15)10-13-8-18(29)26-21-16(13)6-7-17(24)20(21)25/h3-9H,10H2,1-2H3,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29272
(quinolinone, 42)Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClF2N4O2/c1-27-11-25-9-17(27)21(30)28(14-4-2-3-13(22)8-14)10-12-7-18(29)26-20-15(12)5-6-16(23)19(20)24/h2-9,11H,10H2,1H3,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356475
(CHEMBL1911984)Show SMILES CN(CCN1CCCC1c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C23H28N6O2/c1-17-12-19(26-23(25-17)29-9-7-24-15-29)20-4-3-8-28(20)11-10-27(2)14-18-5-6-21-22(13-18)31-16-30-21/h5-7,9,12-13,15,20H,3-4,8,10-11,14,16H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356476
(CHEMBL1911998)Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1cccnc1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C22H23N7O2S/c1-3-18(13-23-6-1)14-28(22-26-21(27-32-22)29-10-8-25-15-29)9-2-7-24-12-17-4-5-19-20(11-17)31-16-30-19/h1,3-6,8,10-11,13,15,24H,2,7,9,12,14,16H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356477
(CHEMBL1911999)Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1nccs1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C20H21N7O2S2/c1(4-21-11-15-2-3-16-17(10-15)29-14-28-16)7-26(12-18-23-6-9-30-18)20-24-19(25-31-20)27-8-5-22-13-27/h2-3,5-6,8-10,13,21H,1,4,7,11-12,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356505
(CHEMBL1911882)Show InChI InChI=1S/C17H20N6O2S/c1-22(17-20-16(21-26-17)23-8-6-19-11-23)7-2-5-18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,6,8-9,11,18H,2,5,7,10,12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356480
(CHEMBL1912000)Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1cccs1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C21H22N6O2S2/c1-3-17(30-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)29-15-28-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356479
(CHEMBL1911990)Show InChI InChI=1S/C19H24N6O2S/c1-2-8-24(19-22-18(23-28-19)25-10-7-21-13-25)9-3-6-20-12-15-4-5-16-17(11-15)27-14-26-16/h4-5,7,10-11,13,20H,2-3,6,8-9,12,14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356478
(CHEMBL1911986)Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)NCCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-11-17(26-21(25-15)27-10-8-23-13-27)18-3-2-9-28(18)22(29)24-7-6-16-4-5-19-20(12-16)31-14-30-19/h4-5,8,10-13,18H,2-3,6-7,9,14H2,1H3,(H,24,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29252
(quinolinone, 23)Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClFN4O2/c1-26-12-24-10-18(26)21(29)27(15-5-2-4-14(22)9-15)11-13-8-19(28)25-20-16(13)6-3-7-17(20)23/h2-10,12H,11H2,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29271
(quinolinone, 41)Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H16ClF2N3O2/c1-13-7-8-27-11-18(13)23(31)29(16-4-2-3-15(24)10-16)12-14-9-20(30)28-22-17(14)5-6-19(25)21(22)26/h2-11H,12H2,1H3,(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29241
(quinolinone, 12)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29241
(quinolinone, 12)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356481
(CHEMBL1909665)Show InChI InChI=1S/C18H19N7O2S/c19-4-8-24(18-22-17(23-28-18)25-9-6-21-12-25)7-1-5-20-11-14-2-3-15-16(10-14)27-13-26-15/h2-3,6,9-10,12,20H,1,5,7-8,11,13H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356482
(CHEMBL1911982)Show SMILES Cc1cc(CNC(=O)NCCc2ccc3OCOc3c2)nc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20N6O3/c1-13-8-15(24-18(23-13)25-7-6-20-11-25)10-22-19(26)21-5-4-14-2-3-16-17(9-14)28-12-27-16/h2-3,6-9,11H,4-5,10,12H2,1H3,(H2,21,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356483
(CHEMBL1912001)Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1ccco1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C21H22N6O3S/c1-3-17(28-10-1)13-26(21-24-20(25-31-21)27-9-7-23-14-27)8-2-6-22-12-16-4-5-18-19(11-16)30-15-29-18/h1,3-5,7,9-11,14,22H,2,6,8,12-13,15H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29253
(quinolinone, 24)Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29266
(isoquinoline N-oxide, 47)Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H14ClF2N3O2S/c1-12-20(30-11-25-12)21(28)27(15-4-2-3-14(22)7-15)9-13-8-26(29)10-17-16(13)5-6-18(23)19(17)24/h2-8,10-11H,9H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356484
(CHEMBL1911981)Show InChI InChI=1S/C20H23N5O2/c1-15-10-17(24-20(23-15)25-9-8-22-13-25)4-2-3-7-21-12-16-5-6-18-19(11-16)27-14-26-18/h5-6,8-11,13,21H,2-4,7,12,14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29274
(quinolinone, 44)Show SMILES Cc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H14ClF2N3O2S/c1-11-19(30-10-25-11)21(29)27(13-5-2-4-12(22)8-13)9-15-14-6-3-7-16(23)18(14)26-20(28)17(15)24/h2-8,10H,9H2,1H3,(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356485
(CHEMBL1911894)Show SMILES CC(NCCN(C)Cc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C21H26N6O2/c1-15-10-18(25-21(24-15)27-9-6-22-13-27)16(2)23-7-8-26(3)12-17-4-5-19-20(11-17)29-14-28-19/h4-6,9-11,13,16,23H,7-8,12,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356486
(CHEMBL1911985)Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1C(=O)CNCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)27-8-6-23-13-27)18-3-2-7-28(18)21(29)12-24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18,24H,2-3,7,11-12,14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356487
(CHEMBL1911993)Show SMILES CCOC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C20H24N6O4S/c1-2-28-18(27)12-25(20-23-19(24-31-20)26-9-7-22-13-26)8-3-6-21-11-15-4-5-16-17(10-15)30-14-29-16/h4-5,7,9-10,13,21H,2-3,6,8,11-12,14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356488
(CHEMBL1911987)Show SMILES Cc1cc(nc(n1)-n1ccnc1)C1CCCN1CC(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)28-8-6-23-13-28)18-3-2-7-27(18)12-21(29)24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18H,2-3,7,11-12,14H2,1H3,(H,24,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356489
(CHEMBL1912003)Show SMILES Oc1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1 Show InChI InChI=1S/C23H24N6O3S/c30-19-5-2-17(3-6-19)14-28(23-26-22(27-33-23)29-11-9-25-15-29)10-1-8-24-13-18-4-7-20-21(12-18)32-16-31-20/h2-7,9,11-12,15,24,30H,1,8,10,13-14,16H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356508
(CHEMBL1911886)Show InChI InChI=1S/C18H22N6O2S/c1-23(18-21-17(22-27-18)24-8-6-20-13-24)7-2-5-19-12-14-3-4-15-16(11-14)26-10-9-25-15/h3-4,6,8,11,13,19H,2,5,7,9-10,12H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29250
(quinolinone, 21)Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-8-9-26-12-19(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-18(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29247
(quinolinone, 18)Show SMILES Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C20H13ClFN3O2S/c21-13-3-1-4-14(8-13)25(20(27)17-9-23-11-28-17)10-12-7-18(26)24-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29267
(quinolinone, 37)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cc(F)ccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(16-4-2-3-14(22)8-16)10-13-7-19(27)25-18-9-15(23)5-6-17(13)18/h2-9,11H,10H2,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356490
(CHEMBL1911991)Show SMILES C(CNCc1ccc2OCOc2c1)CN(C1CC1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C19H22N6O2S/c1(6-20-11-14-2-5-16-17(10-14)27-13-26-16)8-25(15-3-4-15)19-22-18(23-28-19)24-9-7-21-12-24/h2,5,7,9-10,12,15,20H,1,3-4,6,8,11,13H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29244
(quinolinone, 15)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N Show InChI InChI=1S/C22H15FN4O2S/c1-13-21(30-12-25-13)22(29)27(16-5-2-4-14(8-16)10-24)11-15-9-19(28)26-20-17(15)6-3-7-18(20)23/h2-9,12H,11H2,1H3,(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356491
(CHEMBL1911994)Show SMILES CNC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C19H23N7O3S/c1-20-17(27)11-25(19-23-18(24-30-19)26-8-6-22-12-26)7-2-5-21-10-14-3-4-15-16(9-14)29-13-28-15/h3-4,6,8-9,12,21H,2,5,7,10-11,13H2,1H3,(H,20,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29243
(quinolinone, 14)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1 Show InChI InChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 62 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356492
(CHEMBL1912002)Show SMILES Cn1cnc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)c1 Show InChI InChI=1S/C21H24N8O2S/c1-27-11-17(24-14-27)12-28(21-25-20(26-32-21)29-8-6-23-13-29)7-2-5-22-10-16-3-4-18-19(9-16)31-15-30-18/h3-4,6,8-9,11,13-14,22H,2,5,7,10,12,15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356493
(CHEMBL1911995)Show SMILES CN(C)C(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C20H25N7O3S/c1-25(2)18(28)12-26(20-23-19(24-31-20)27-9-7-22-13-27)8-3-6-21-11-15-4-5-16-17(10-15)30-14-29-16/h4-5,7,9-10,13,21H,3,6,8,11-12,14H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356494
(CHEMBL1911992)Show SMILES NC(=O)CN(CCCNCc1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C18H21N7O3S/c19-16(26)10-24(18-22-17(23-29-18)25-7-5-21-11-25)6-1-4-20-9-13-2-3-14-15(8-13)28-12-27-14/h2-3,5,7-8,11,20H,1,4,6,9-10,12H2,(H2,19,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29264
(isoquinoline N-oxide, 34)Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-13-20(29-12-24-13)21(27)26(16-5-2-4-15(22)8-16)10-14-9-25(28)11-18-17(14)6-3-7-19(18)23/h2-9,11-12H,10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 87 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50348710
(CHEMBL1801506)Show SMILES CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C19H17F2N5O/c1-10(2)7-14-24-18-19(23-6-5-22-18)26(14)9-11-8-15(27)25-17-12(11)3-4-13(20)16(17)21/h3-6,8,10H,7,9H2,1-2H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29249
(quinolinone, 20)Show SMILES Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-12-26-9-8-18(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-19(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356495
(CHEMBL1912004)Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1ccc2occc2c1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C25H24N6O3S/c1(7-26-14-18-2-5-22-23(13-18)34-17-33-22)9-30(15-19-3-4-21-20(12-19)6-11-32-21)25-28-24(29-35-25)31-10-8-27-16-31/h2-6,8,10-13,16,26H,1,7,9,14-15,17H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50348732
(CHEMBL1801504)Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C19H15F2N5O/c20-13-5-4-12-11(8-14(27)24-16(12)15(13)21)9-26-18(10-2-1-3-10)25-17-19(26)23-7-6-22-17/h4-8,10H,1-3,9H2,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 91 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29245
(quinolinone, 16)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1 Show InChI InChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50348747
(CHEMBL1801059)Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C19H13F4N5O/c20-12-2-1-11-9(5-13(29)26-15(11)14(12)21)8-28-17(10-6-19(22,23)7-10)27-16-18(28)25-4-3-24-16/h1-5,10H,6-8H2,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50348729
(CHEMBL1801503)Show SMILES Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15F5N4O/c22-14-5-4-12-11(8-15(31)28-17(12)16(14)23)9-30-19(10-2-1-3-10)29-18-13(21(24,25)26)6-7-27-20(18)30/h4-8,10H,1-3,9H2,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29255
(quinolinone, 26)Show SMILES CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50356496
(CHEMBL1912005)Show SMILES CN(C)c1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1 Show InChI InChI=1S/C25H29N7O2S/c1-30(2)21-7-4-19(5-8-21)16-31(25-28-24(29-35-25)32-13-11-27-17-32)12-3-10-26-15-20-6-9-22-23(14-20)34-18-33-22/h4-9,11,13-14,17,26H,3,10,12,15-16,18H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 163 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay |
Bioorg Med Chem Lett 21: 6888-94 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.112 BindingDB Entry DOI: 10.7270/Q2XK8FXC |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29265
(quinolinone, 35)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h2-10,12H,11H2,1H3,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50348728
(CHEMBL1801502)Show SMILES CN(C)c1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1 Show InChI InChI=1S/C22H21F2N5O/c1-28(2)16-8-9-25-22-20(16)27-21(12-4-3-5-12)29(22)11-13-10-17(30)26-19-14(13)6-7-15(23)18(19)24/h6-10,12H,3-5,11H2,1-2H3,(H,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50348724
(CHEMBL1801498)Show SMILES Fc1ccc2c(Cn3c(nc4cccnc34)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H16F2N4O/c21-14-7-6-13-12(9-16(27)25-18(13)17(14)22)10-26-19(11-3-1-4-11)24-15-5-2-8-23-20(15)26/h2,5-9,11H,1,3-4,10H2,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
Kalypsys, Inc
Curated by ChEMBL
| Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu... |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this Ligand-Target Pair | |