Found 124 hits with Last Name = 'thayer' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
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)) | BDBM50356504
(CHEMBL1911883)Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C20H24N6O2/c1-15-10-19(24-20(23-15)26-9-7-22-13-26)25(2)8-3-6-21-12-16-4-5-17-18(11-16)28-14-27-17/h4-5,7,9-11,13,21H,3,6,8,12,14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
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)) | BDBM50356507
(CHEMBL1911885)Show InChI InChI=1S/C16H20N6S/c1-21(10-5-8-17-12-14-6-3-2-4-7-14)16-19-15(20-23-16)22-11-9-18-13-22/h2-4,6-7,9,11,13,17H,5,8,10,12H2,1H3 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
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)) | BDBM50356506
(CHEMBL1911884)Show SMILES CN(CCCNCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1cccc1 Show InChI InChI=1S/C21H25N5O2/c1-16-12-20(24-21(23-16)26-10-3-4-11-26)25(2)9-5-8-22-14-17-6-7-18-19(13-17)28-15-27-18/h3-4,6-7,10-13,22H,5,8-9,14-15H2,1-2H3 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS |
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)) | BDBM50356474
(CHEMBL1911893)Show InChI InChI=1S/C18H22N6O2S/c1-23(18-21-17(22-27-18)24-10-8-20-12-24)9-2-6-19-7-5-14-3-4-15-16(11-14)26-13-25-15/h3-4,8,10-12,19H,2,5-7,9,13H2,1H3 | 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 | 230 | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | BDBM50356497
(CHEMBL1911989)Show SMILES CC(NCCOCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1 Show InChI InChI=1S/C20H23N5O3/c1-14-9-17(24-20(23-14)25-7-5-21-12-25)15(2)22-6-8-26-11-16-3-4-18-19(10-16)28-13-27-18/h3-5,7,9-10,12,15,22H,6,8,11,13H2,1-2H3 | 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 | 290 | 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)) | BDBM50356498
(CHEMBL1911983)Show SMILES Cc1cc(CNC(=O)CNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1 Show InChI InChI=1S/C19H20N6O3/c1-13-6-15(24-19(23-13)25-5-4-20-11-25)9-22-18(26)10-21-8-14-2-3-16-17(7-14)28-12-27-16/h2-7,11,21H,8-10,12H2,1H3,(H,22,26) | 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 | 293 | 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, brain
(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
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 | 310 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 480 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 690 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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)) | BDBM50356499
(CHEMBL1911980)Show SMILES CN(CCn1cccc1-c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C23H24N6O2/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/h3-9,12-13,15H,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
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | 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, brain
(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
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 | 2.10E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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)) | BDBM50356500
(CHEMBL1911979)Show SMILES Cc1cc(nc(n1)-n1ccnc1)C(C)(C)NCCNCc1ccc2OCOc2c1 Show InChI InChI=1S/C21H26N6O2/c1-15-10-19(26-20(25-15)27-9-8-23-13-27)21(2,3)24-7-6-22-12-16-4-5-17-18(11-16)29-14-28-17/h4-5,8-11,13,22,24H,6-7,12,14H2,1-3H3 | 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 | 2.30E+3 | 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, brain
(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
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 | 2.30E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 2.70E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 3.90E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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)) | BDBM50356501
(CHEMBL1911996)Show SMILES C(CNCc1ccc2OCOc2c1)CN(Cc1nnn[nH]1)c1nc(ns1)-n1ccnc1 Show InChI InChI=1S/C18H20N10O2S/c1(4-19-9-13-2-3-14-15(8-13)30-12-29-14)6-27(10-16-22-25-26-23-16)18-21-17(24-31-18)28-7-5-20-11-28/h2-3,5,7-8,11,19H,1,4,6,9-10,12H2,(H,22,23,25,26) | 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 | 4.00E+3 | 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, brain
(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
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 | 6.00E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 6.60E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 6.80E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 7.20E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 7.20E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 7.60E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 7.90E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 9.50E+3 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 1.10E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 1.10E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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, brain
(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
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 | 1.80E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured aft... |
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 | |
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