BindingDB logo
myBDB logout

PubMed code 21684157

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.86n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4|
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.6n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50124535
PNG
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1|
Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 37.1n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418856
PNG
(CHEMBL1800534)
Show SMILES COc1ccnc(CCc2nc3ncc(cc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C20H18N4O/c1-25-17-9-10-21-16(12-17)7-8-19-23-18-11-15(13-22-20(18)24-19)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,22,23,24)
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/an/a 38.9n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 44.7n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418855
PNG
(CHEMBL1800533)
Show SMILES CCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1
Show InChI InChI=1S/C18H22N4O/c1-3-4-5-13-10-16-18(20-12-13)22-17(21-16)7-6-14-11-15(23-2)8-9-19-14/h8-12H,3-7H2,1-2H3,(H,20,21,22)
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/an/a 55.0n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418844
PNG
(CHEMBL1800347)
Show SMILES COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(nc2)C#N)c1
Show InChI InChI=1S/C18H19N5O2/c1-25-16-4-7-20-17(10-16)22-14-5-8-23(9-6-14)18(24)13-2-3-15(11-19)21-12-13/h2-4,7,10,12,14H,5-6,8-9H2,1H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70.8n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418849
PNG
(CHEMBL1738840)
Show SMILES COc1ccnc(CCc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C14H14N4O/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81.3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418845
PNG
(CHEMBL1800348)
Show SMILES COc1ccnc(CSc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C13H12N4OS/c1-18-10-4-6-14-9(7-10)8-19-13-16-11-3-2-5-15-12(11)17-13/h2-7H,8H2,1H3,(H,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418851
PNG
(CHEMBL1800528)
Show SMILES COc1ccnc(CCc2nc3nccc(C)c3[nH]2)c1
Show InChI InChI=1S/C15H16N4O/c1-10-5-7-17-15-14(10)18-13(19-15)4-3-11-9-12(20-2)6-8-16-11/h5-9H,3-4H2,1-2H3,(H,17,18,19)
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/an/a 145n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418847
PNG
(CHEMBL1800523)
Show SMILES COc1ccnc(CSC)c1
Show InChI InChI=1S/C8H11NOS/c1-10-8-3-4-9-7(5-8)6-11-2/h3-5H,6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 155n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418860
PNG
(CHEMBL1800526)
Show SMILES COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1
Show InChI InChI=1S/C14H13BrN4O/c1-20-11-4-5-16-10(7-11)2-3-13-18-12-6-9(15)8-17-14(12)19-13/h4-8H,2-3H2,1H3,(H,17,18,19)
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/an/a 186n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418850
PNG
(CHEMBL1800527)
Show SMILES COc1ccnc(CCc2nc3nc(OC)ccc3[nH]2)c1
Show InChI InChI=1S/C15H16N4O2/c1-20-11-7-8-16-10(9-11)3-5-13-17-12-4-6-14(21-2)19-15(12)18-13/h4,6-9H,3,5H2,1-2H3,(H,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418847
PNG
(CHEMBL1800523)
Show SMILES COc1ccnc(CSC)c1
Show InChI InChI=1S/C8H11NOS/c1-10-8-3-4-9-7(5-8)6-11-2/h3-5H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 447n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418859
PNG
(CHEMBL1800531)
Show SMILES COCCOc1ccnc2nc(CCc3cc(OC)ccn3)[nH]c12
Show InChI InChI=1S/C17H20N4O3/c1-22-9-10-24-14-6-8-19-17-16(14)20-15(21-17)4-3-12-11-13(23-2)5-7-18-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21)
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/an/a 513n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418854
PNG
(CHEMBL1800532)
Show SMILES COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1
Show InChI InChI=1S/C22H22N4O2/c1-27-18-9-12-23-17(15-18)7-8-20-25-21-19(10-13-24-22(21)26-20)28-14-11-16-5-3-2-4-6-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,25,26)
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/an/a 724n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50124535
PNG
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1|
Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 741n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418853
PNG
(CHEMBL1800530)
Show SMILES COc1ccnc(CCc2nc3nccc(OC)c3[nH]2)c1
Show InChI InChI=1S/C15H16N4O2/c1-20-11-5-7-16-10(9-11)3-4-13-18-14-12(21-2)6-8-17-15(14)19-13/h5-9H,3-4H2,1-2H3,(H,17,18,19)
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/an/a 776n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418847
PNG
(CHEMBL1800523)
Show SMILES COc1ccnc(CSC)c1
Show InChI InChI=1S/C8H11NOS/c1-10-8-3-4-9-7(5-8)6-11-2/h3-5H,6H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418856
PNG
(CHEMBL1800534)
Show SMILES COc1ccnc(CCc2nc3ncc(cc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C20H18N4O/c1-25-17-9-10-21-16(12-17)7-8-19-23-18-11-15(13-22-20(18)24-19)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418855
PNG
(CHEMBL1800533)
Show SMILES CCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1
Show InChI InChI=1S/C18H22N4O/c1-3-4-5-13-10-16-18(20-12-13)22-17(21-16)7-6-14-11-15(23-2)8-9-19-14/h8-12H,3-7H2,1-2H3,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418852
PNG
(CHEMBL1800529)
Show SMILES COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1
Show InChI InChI=1S/C16H18N4O/c1-10-8-11(2)18-16-15(10)19-14(20-16)5-4-12-9-13(21-3)6-7-17-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)
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/an/a 2.29E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50418849
PNG
(CHEMBL1738840)
Show SMILES COc1ccnc(CCc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C14H14N4O/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418845
PNG
(CHEMBL1800348)
Show SMILES COc1ccnc(CSc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C13H12N4OS/c1-18-10-4-6-14-9(7-10)8-19-13-16-11-3-2-5-15-12(11)17-13/h2-7H,8H2,1H3,(H,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.39E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.68E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418844
PNG
(CHEMBL1800347)
Show SMILES COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(nc2)C#N)c1
Show InChI InChI=1S/C18H19N5O2/c1-25-16-4-7-20-17(10-16)22-14-5-8-23(9-6-14)18(24)13-2-3-15(11-19)21-12-13/h2-4,7,10,12,14H,5-6,8-9H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.61E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418860
PNG
(CHEMBL1800526)
Show SMILES COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1
Show InChI InChI=1S/C14H13BrN4O/c1-20-11-4-5-16-10(7-11)2-3-13-18-12-6-9(15)8-17-14(12)19-13/h4-8H,2-3H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.32E+3n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418846
PNG
(CHEMBL51478)
Show SMILES COc1ccnc(CSc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H13N3OS/c1-18-11-6-7-15-10(8-11)9-19-14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
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/an/a 1.07E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418852
PNG
(CHEMBL1800529)
Show SMILES COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1
Show InChI InChI=1S/C16H18N4O/c1-10-8-11(2)18-16-15(10)19-14(20-16)5-4-12-9-13(21-3)6-7-17-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418854
PNG
(CHEMBL1800532)
Show SMILES COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1
Show InChI InChI=1S/C22H22N4O2/c1-27-18-9-12-23-17(15-18)7-8-20-25-21-19(10-13-24-22(21)26-20)28-14-11-16-5-3-2-4-6-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418849
PNG
(CHEMBL1738840)
Show SMILES COc1ccnc(CCc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C14H14N4O/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418856
PNG
(CHEMBL1800534)
Show SMILES COc1ccnc(CCc2nc3ncc(cc3[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C20H18N4O/c1-25-17-9-10-21-16(12-17)7-8-19-23-18-11-15(13-22-20(18)24-19)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418851
PNG
(CHEMBL1800528)
Show SMILES COc1ccnc(CCc2nc3nccc(C)c3[nH]2)c1
Show InChI InChI=1S/C15H16N4O/c1-10-5-7-17-15-14(10)18-13(19-15)4-3-11-9-12(20-2)6-8-16-11/h5-9H,3-4H2,1-2H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.86E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418850
PNG
(CHEMBL1800527)
Show SMILES COc1ccnc(CCc2nc3nc(OC)ccc3[nH]2)c1
Show InChI InChI=1S/C15H16N4O2/c1-20-11-7-8-16-10(9-11)3-5-13-17-12-4-6-14(21-2)19-15(12)18-13/h4,6-9H,3,5H2,1-2H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418846
PNG
(CHEMBL51478)
Show SMILES COc1ccnc(CSc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H13N3OS/c1-18-11-6-7-15-10(8-11)9-19-14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.63E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418846
PNG
(CHEMBL51478)
Show SMILES COc1ccnc(CSc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H13N3OS/c1-18-11-6-7-15-10(8-11)9-19-14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418851
PNG
(CHEMBL1800528)
Show SMILES COc1ccnc(CCc2nc3nccc(C)c3[nH]2)c1
Show InChI InChI=1S/C15H16N4O/c1-10-5-7-17-15-14(10)18-13(19-15)4-3-11-9-12(20-2)6-8-16-11/h5-9H,3-4H2,1-2H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.57E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418857
PNG
(CHEMBL1800349)
Show SMILES COc1ccnc(CSc2nc3ccncc3[nH]2)c1
Show InChI InChI=1S/C13H12N4OS/c1-18-10-2-5-15-9(6-10)8-19-13-16-11-3-4-14-7-12(11)17-13/h2-7H,8H2,1H3,(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418845
PNG
(CHEMBL1800348)
Show SMILES COc1ccnc(CSc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C13H12N4OS/c1-18-10-4-6-14-9(7-10)8-19-13-16-11-3-2-5-15-12(11)17-13/h2-7H,8H2,1H3,(H,15,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.37E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418853
PNG
(CHEMBL1800530)
Show SMILES COc1ccnc(CCc2nc3nccc(OC)c3[nH]2)c1
Show InChI InChI=1S/C15H16N4O2/c1-20-11-5-7-16-10(9-11)3-4-13-18-14-12(21-2)6-8-17-15(14)19-13/h5-9H,3-4H2,1-2H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.89E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.17E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418854
PNG
(CHEMBL1800532)
Show SMILES COc1ccnc(CCc2nc3nccc(OCCc4ccccc4)c3[nH]2)c1
Show InChI InChI=1S/C22H22N4O2/c1-27-18-9-12-23-17(15-18)7-8-20-25-21-19(10-13-24-22(21)26-20)28-14-11-16-5-3-2-4-6-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.61E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418855
PNG
(CHEMBL1800533)
Show SMILES CCCCc1cnc2nc(CCc3cc(OC)ccn3)[nH]c2c1
Show InChI InChI=1S/C18H22N4O/c1-3-4-5-13-10-16-18(20-12-13)22-17(21-16)7-6-14-11-15(23-2)8-9-19-14/h8-12H,3-7H2,1-2H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.71E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418860
PNG
(CHEMBL1800526)
Show SMILES COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1
Show InChI InChI=1S/C14H13BrN4O/c1-20-11-4-5-16-10(7-11)2-3-13-18-12-6-9(15)8-17-14(12)19-13/h4-8H,2-3H2,1H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.71E+4n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418858
PNG
(CHEMBL1800524)
Show SMILES COc1cnc(CSC)cc1OC
Show InChI InChI=1S/C9H13NO2S/c1-11-8-4-7(6-13-3)10-5-9(8)12-2/h4-5H,6H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418848
PNG
(CHEMBL1800525)
Show SMILES COc1ccnc(CSC)c1OC
Show InChI InChI=1S/C9H13NO2S/c1-11-8-4-5-10-7(6-13-3)9(8)12-2/h4-5H,6H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418844
PNG
(CHEMBL1800347)
Show SMILES COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(nc2)C#N)c1
Show InChI InChI=1S/C18H19N5O2/c1-25-16-4-7-20-17(10-16)22-14-5-8-23(9-6-14)18(24)13-2-3-15(11-19)21-12-13/h2-4,7,10,12,14H,5-6,8-9H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418843
PNG
(CHEMBL1185460)
Show SMILES CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1 |r,w:3.3|
Show InChI InChI=1S/C9H18N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h7H,2-5,11H2,1H3,(H2,10,12)(H2,13,14,15,16,17,18)/t7-/m0/s1
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/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50124535
PNG
(1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...)
Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1|
Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418857
PNG
(CHEMBL1800349)
Show SMILES COc1ccnc(CSc2nc3ccncc3[nH]2)c1
Show InChI InChI=1S/C13H12N4OS/c1-18-10-2-5-15-9(6-10)8-19-13-16-11-3-4-14-7-12(11)17-13/h2-7H,8H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418850
PNG
(CHEMBL1800527)
Show SMILES COc1ccnc(CCc2nc3nc(OC)ccc3[nH]2)c1
Show InChI InChI=1S/C15H16N4O2/c1-20-11-7-8-16-10(9-11)3-5-13-17-12-4-6-14(21-2)19-15(12)18-13/h4,6-9H,3,5H2,1-2H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418848
PNG
(CHEMBL1800525)
Show SMILES COc1ccnc(CSC)c1OC
Show InChI InChI=1S/C9H13NO2S/c1-11-8-4-5-10-7(6-13-3)9(8)12-2/h4-5H,6H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418843
PNG
(CHEMBL1185460)
Show SMILES CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1 |r,w:3.3|
Show InChI InChI=1S/C9H18N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h7H,2-5,11H2,1H3,(H2,10,12)(H2,13,14,15,16,17,18)/t7-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418843
PNG
(CHEMBL1185460)
Show SMILES CC(N)=NCCCC[C@H](N)C(=O)Nc1nnn[nH]1 |r,w:3.3|
Show InChI InChI=1S/C9H18N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h7H,2-5,11H2,1H3,(H2,10,12)(H2,13,14,15,16,17,18)/t7-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418852
PNG
(CHEMBL1800529)
Show SMILES COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1
Show InChI InChI=1S/C16H18N4O/c1-10-8-11(2)18-16-15(10)19-14(20-16)5-4-12-9-13(21-3)6-7-17-12/h6-9H,4-5H2,1-3H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418858
PNG
(CHEMBL1800524)
Show SMILES COc1cnc(CSC)cc1OC
Show InChI InChI=1S/C9H13NO2S/c1-11-8-4-7(6-13-3)10-5-9(8)12-2/h4-5H,6H2,1-3H3
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/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418858
PNG
(CHEMBL1800524)
Show SMILES COc1cnc(CSC)cc1OC
Show InChI InChI=1S/C9H13NO2S/c1-11-8-4-7(6-13-3)10-5-9(8)12-2/h4-5H,6H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50418848
PNG
(CHEMBL1800525)
Show SMILES COc1ccnc(CSC)c1OC
Show InChI InChI=1S/C9H13NO2S/c1-11-8-4-5-10-7(6-13-3)9(8)12-2/h4-5H,6H2,1-3H3
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/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418857
PNG
(CHEMBL1800349)
Show SMILES COc1ccnc(CSc2nc3ccncc3[nH]2)c1
Show InChI InChI=1S/C13H12N4OS/c1-18-10-2-5-15-9(6-10)8-19-13-16-11-3-4-14-7-12(11)17-13/h2-7H,8H2,1H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418849
PNG
(CHEMBL1738840)
Show SMILES COc1ccnc(CCc2nc3ncccc3[nH]2)c1
Show InChI InChI=1S/C14H14N4O/c1-19-11-6-8-15-10(9-11)4-5-13-17-12-3-2-7-16-14(12)18-13/h2-3,6-9H,4-5H2,1H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50418859
PNG
(CHEMBL1800531)
Show SMILES COCCOc1ccnc2nc(CCc3cc(OC)ccn3)[nH]c12
Show InChI InChI=1S/C17H20N4O3/c1-22-9-10-24-14-6-8-19-17-16(14)20-15(21-17)4-3-12-11-13(23-2)5-7-18-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418859
PNG
(CHEMBL1800531)
Show SMILES COCCOc1ccnc2nc(CCc3cc(OC)ccn3)[nH]c12
Show InChI InChI=1S/C17H20N4O3/c1-22-9-10-24-14-6-8-19-17-16(14)20-15(21-17)4-3-12-11-13(23-2)5-7-18-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.04E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50418853
PNG
(CHEMBL1800530)
Show SMILES COc1ccnc(CCc2nc3nccc(OC)c3[nH]2)c1
Show InChI InChI=1S/C15H16N4O2/c1-20-11-5-7-16-10(9-11)3-4-13-18-14-12(21-2)6-8-17-15(14)19-13/h5-9H,3-4H2,1-2H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.04E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.68E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%