BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 828 hits of ic50 data for polymerid = 3611   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50363262
PNG
(CHEMBL1944717)
Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cnccn3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H13ClF2N4O/c21-13-2-1-3-14(9-13)27(17-10-24-6-7-25-17)11-12-8-18(28)26-20-15(12)4-5-16(22)19(20)23/h1-10H,11H2,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111496
PNG
(US8618286, 22)
Show SMILES CN(C)CCCN1CCSc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C18H24N4S2/c1-21(2)8-4-9-22-10-12-24-17-13-14(6-7-15(17)22)20-18(19)16-5-3-11-23-16/h3,5-7,11,13H,4,8-10,12H2,1-2H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50352593
PNG
(CHEMBL1825174)
Show SMILES CN1CCC[C@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method


Bioorg Med Chem Lett 21: 5301-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.022
BindingDB Entry DOI: 10.7270/Q2FN16KP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/a7.037



The Scripps Research Institute



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Chem Biol 4: 700-7 (2008)


Article DOI: 10.1038/nchembio.115
BindingDB Entry DOI: 10.7270/Q2SB443Q
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111497
PNG
(US8618286, 23)
Show SMILES CNCCCN1CCSc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C17H22N4S2/c1-19-7-3-8-21-9-11-23-16-12-13(5-6-14(16)21)20-17(18)15-4-2-10-22-15/h2,4-6,10,12,19H,3,7-9,11H2,1H3,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50206074
PNG
((+/-)-N-{2-[2-(1-methyl-pyrrolidin-2-yl)-ethylamin...)
Show SMILES CN1CCCC1CCNc1nc2cc(ccc2s1)N=C(N)c1cccs1
Show InChI InChI=1S/C19H23N5S2/c1-24-10-2-4-14(24)8-9-21-19-23-15-12-13(6-7-16(15)26-19)22-18(20)17-5-3-11-25-17/h3,5-7,11-12,14H,2,4,8-10H2,1H3,(H2,20,22)(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human neuronal NOS activity


Bioorg Med Chem Lett 17: 2540-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111490
PNG
(US8618286, 16)
Show SMILES NC(=Nc1ccc2N(CCNCCO)CCSc2c1)c1cccs1
Show InChI InChI=1S/C17H22N4OS2/c18-17(15-2-1-10-23-15)20-13-3-4-14-16(12-13)24-11-8-21(14)7-5-19-6-9-22/h1-4,10,12,19,22H,5-9,11H2,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50430743
PNG
(CHEMBL2333953)
Show SMILES NC(=Nc1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1
Show InChI InChI=1S/C21H22ClN3S/c22-18-4-1-3-17(15-18)11-13-24-12-10-16-6-8-19(9-7-16)25-21(23)20-5-2-14-26-20/h1-9,14-15,24H,10-13H2,(H2,23,25)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human nNOS


J Med Chem 56: 3121-47 (2013)


Article DOI: 10.1021/jm3015926
BindingDB Entry DOI: 10.7270/Q23T9JKG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50122307
PNG
(CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...)
Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1
Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS


Bioorg Med Chem Lett 13: 1981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00351-2
BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164784
PNG
((4S,7S)-4-Methyl-octahydro-[1]pyrindin-(2E)-yliden...)
Show SMILES C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50138977
PNG
(CHEMBL419740 | N-(3-Aminomethyl-phenyl)-acetamidin...)
Show SMILES CC(=N)Nc1cccc(CN)c1
Show InChI InChI=1S/C9H13N3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H2,11,12)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human nNOS


J Med Chem 56: 3121-47 (2013)


Article DOI: 10.1021/jm3015926
BindingDB Entry DOI: 10.7270/Q23T9JKG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50401280
PNG
(CHEMBL3216124)
Show SMILES Cl.Cl.CN(C)CCN1CCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...


Eur J Med Chem 55: 94-107 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50128920
PNG
((3R,3aS)-7-[3-(3-Chloro-benzylamino)-propyl]-2,3,3...)
Show SMILES NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C22H26ClN3/c23-17-6-1-4-16(12-17)14-25-11-3-5-15-9-10-19-18-7-2-8-20(18)22(24)26-21(19)13-15/h1,4,6,9-10,12-13,18,20,25H,2-3,5,7-8,11,14H2,(H2,24,26)/t18-,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50128920
PNG
((3R,3aS)-7-[3-(3-Chloro-benzylamino)-propyl]-2,3,3...)
Show SMILES NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C22H26ClN3/c23-17-6-1-4-16(12-17)14-25-11-3-5-15-9-10-19-18-7-2-8-20(18)22(24)26-21(19)13-15/h1,4,6,9-10,12-13,18,20,25H,2-3,5,7-8,11,14H2,(H2,24,26)/t18-,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS


Bioorg Med Chem Lett 13: 1981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00351-2
BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50363270
PNG
(CHEMBL1944884)
Show SMILES Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
Show InChI InChI=1S/C22H18F2N4O/c1-14-4-2-3-5-15(14)12-28(19-11-25-8-9-26-19)13-16-10-20(29)27-22-17(16)6-7-18(23)21(22)24/h2-11H,12-13H2,1H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50128916
PNG
((3aR,9bS)-7-[2-(3-Chloro-benzylamino)-ethyl]-2,3,3...)
Show SMILES NC1=Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C21H24ClN3/c22-16-4-1-3-15(11-16)13-24-10-9-14-7-8-18-17-5-2-6-19(17)21(23)25-20(18)12-14/h1,3-4,7-8,11-12,17,19,24H,2,5-6,9-10,13H2,(H2,23,25)/t17-,19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS


Bioorg Med Chem Lett 13: 1981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00351-2
BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111498
PNG
(US8618286, 24)
Show SMILES CCNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1
Show InChI InChI=1S/C17H22N4S2/c1-2-19-7-8-21-9-11-23-15-6-5-13(12-14(15)21)20-17(18)16-4-3-10-22-16/h3-6,10,12,19H,2,7-9,11H2,1H3,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 50n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM36402
PNG
((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)
Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1
Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/a7.037



The Scripps Research Institute



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Chem Biol 4: 700-7 (2008)


Article DOI: 10.1038/nchembio.115
BindingDB Entry DOI: 10.7270/Q2SB443Q
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50141086
PNG
(6-[7-(2-Dimethylamino-ethoxy)-indan-4-yl]-pyridin-...)
Show SMILES CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1
Show InChI InChI=1S/C18H23N3O/c1-21(2)11-12-22-17-10-9-14(13-5-3-6-15(13)17)16-7-4-8-18(19)20-16/h4,7-10H,3,5-6,11-12H2,1-2H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50164782
PNG
((4R,4aR,5R)-4-Methyl-octahydro-quinolin-(2E)-ylide...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C10H18N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h7-9H,2-6H2,1H3,(H2,11,12)/t7-,8-,9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)


Bioorg Med Chem Lett 15: 1997-2001 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150885
PNG
(6-(4-Dimethylaminomethyl-5-ethyl-2-methoxy-phenyl)...)
Show SMILES CCc1cc(c(OC)cc1CN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C17H23N3O/c1-5-12-9-14(15-7-6-8-17(18)19-15)16(21-4)10-13(12)11-20(2)3/h6-10H,5,11H2,1-4H3,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase in human


Bioorg Med Chem Lett 14: 4511-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.043
BindingDB Entry DOI: 10.7270/Q28S4QP6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150887
PNG
(6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-ph...)
Show SMILES CCc1cc(c(OC)cc1OCCN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C18H25N3O2/c1-5-13-11-14(15-7-6-8-18(19)20-15)17(22-4)12-16(13)23-10-9-21(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase in human


Bioorg Med Chem Lett 14: 4511-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.043
BindingDB Entry DOI: 10.7270/Q28S4QP6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50138983
PNG
((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...)
Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells


Bioorg Med Chem Lett 15: 2881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.078
BindingDB Entry DOI: 10.7270/Q2PK0FP1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111482
PNG
(US8618286, 8)
Show SMILES CNCCN1CCSc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C16H20N4S2/c1-18-6-7-20-8-10-22-15-11-12(4-5-13(15)20)19-16(17)14-3-2-9-21-14/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 60n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50062142
PNG
(4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...)
Show SMILES CC1CC(C)N=C(N)C1
Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neuronal nitric oxide synthase


J Med Chem 41: 96-101 (1998)


Article DOI: 10.1021/jm9705059
BindingDB Entry DOI: 10.7270/Q2GM86D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50124519
PNG
(5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...)
Show SMILES NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1
Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50363266
PNG
(CHEMBL1944721)
Show SMILES Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C21H15ClF2N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50352592
PNG
(CHEMBL1825173)
Show SMILES CN1CCC[C@@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method


Bioorg Med Chem Lett 21: 5301-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.022
BindingDB Entry DOI: 10.7270/Q2FN16KP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50363277
PNG
(CHEMBL1945066)
Show SMILES Cn1ncc2c(ncnc12)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
Show InChI InChI=1S/C22H15ClF2N6O/c1-30-21-16(9-28-30)22(27-11-26-21)31(14-4-2-3-13(23)8-14)10-12-7-18(32)29-20-15(12)5-6-17(24)19(20)25/h2-9,11H,10H2,1H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50363269
PNG
(CHEMBL1944724)
Show SMILES Fc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1
Show InChI InChI=1S/C21H15F3N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50363263
PNG
(CHEMBL1944718)
Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3ncccn3)cc(=O)[nH]c2c1F
Show InChI InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(20-24-7-2-8-25-20)11-12-9-17(28)26-19-15(12)5-6-16(22)18(19)23/h1-10H,11H2,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Afraxis

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay


Bioorg Med Chem Lett 22: 1237-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.073
BindingDB Entry DOI: 10.7270/Q26W9BJ5
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50352591
PNG
(CHEMBL1825172)
Show SMILES CN1CCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method


Bioorg Med Chem Lett 21: 5301-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.022
BindingDB Entry DOI: 10.7270/Q2FN16KP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50141082
PNG
(6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-n...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12
Show InChI InChI=1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human nNOS


J Med Chem 56: 3121-47 (2013)


Article DOI: 10.1021/jm3015926
BindingDB Entry DOI: 10.7270/Q23T9JKG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50365335
PNG
(CHEMBL1955937)
Show SMILES NC(=Nc1ccc2CCN(CCNCCO)c2c1)c1cccs1
Show InChI InChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-4-3-13-5-8-21(15(13)12-14)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(H2,18,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ...


J Med Chem 55: 943-55 (2012)


Article DOI: 10.1021/jm201564u
BindingDB Entry DOI: 10.7270/Q20P10HM
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50141081
PNG
(6-[4-(1-Methyl-pyrrolidin-3-yloxy)-naphthalen-1-yl...)
Show SMILES CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C20H21N3O/c1-23-12-11-14(13-23)24-19-10-9-16(15-5-2-3-6-17(15)19)18-7-4-8-20(21)22-18/h2-10,14H,11-13H2,1H3,(H2,21,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50141082
PNG
(6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-n...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12
Show InChI InChI=1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human neuronal nitric oxide synthase


J Med Chem 47: 1575-86 (2004)


Article DOI: 10.1021/jm030519g
BindingDB Entry DOI: 10.7270/Q2J102MT
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150890
PNG
(6-[4-(2-Dimethylamino-ethyl)-5-ethyl-2-methoxy-phe...)
Show SMILES CCc1cc(c(OC)cc1CCN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C18H25N3O/c1-5-13-11-15(16-7-6-8-18(19)20-16)17(22-4)12-14(13)9-10-21(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase in human


Bioorg Med Chem Lett 14: 4511-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.043
BindingDB Entry DOI: 10.7270/Q28S4QP6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase


Bioorg Med Chem Lett 10: 1975-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00389-9
BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50150884
PNG
(6-[4-(3-Dimethylamino-propyl)-5-ethyl-2-methoxy-ph...)
Show SMILES CCc1cc(c(OC)cc1CCCN(C)C)-c1cccc(N)n1
Show InChI InChI=1S/C19H27N3O/c1-5-14-12-16(17-9-6-10-19(20)21-17)18(23-4)13-15(14)8-7-11-22(2)3/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H2,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase in human


Bioorg Med Chem Lett 14: 4511-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.043
BindingDB Entry DOI: 10.7270/Q28S4QP6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM21958
PNG
((2S)-2-amino-5-[(E)-[amino(nitroamino)methylidene]...)
Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Concentration required to inhibit neuronal nitric oxide synthase


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM21958
PNG
((2S)-2-amino-5-[(E)-[amino(nitroamino)methylidene]...)
Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS


Bioorg Med Chem Lett 13: 1981-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00351-2
BindingDB Entry DOI: 10.7270/Q2FN16QG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111502
PNG
(US8618286, 28)
Show SMILES CNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1
Show InChI InChI=1S/C16H20N4S2/c1-18-6-7-20-8-10-22-14-5-4-12(11-13(14)20)19-16(17)15-3-2-9-21-15/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 80n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM111484
PNG
(US8618286, 10)
Show SMILES CNCCN1CCOc2ccc(cc12)N=C(N)c1cccs1
Show InChI InChI=1S/C16H20N4OS/c1-18-6-7-20-8-9-21-14-5-4-12(11-13(14)20)19-16(17)15-3-2-10-22-15/h2-5,10-11,18H,6-9H2,1H3,(H2,17,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 80n/an/an/an/an/an/a



NeurAxon, Inc.

US Patent


Assay Description
Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...


US Patent US8618286 (2013)


BindingDB Entry DOI: 10.7270/Q2C53JH7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50379744
PNG
(CHEMBL2011136)
Show SMILES CN1CCC(C1)N1CCCCc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C20H26N4S/c1-23-11-9-17(14-23)24-10-3-2-5-15-13-16(7-8-18(15)24)22-20(21)19-6-4-12-25-19/h4,6-8,12-13,17H,2-3,5,9-11,14H2,1H3,(H2,21,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull...


Bioorg Med Chem Lett 22: 2510-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.004
BindingDB Entry DOI: 10.7270/Q2639QRG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM36401
PNG
((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)
Show SMILES C[C@H]1CN=C(N)c2sccc2O1
Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/a7.037



The Scripps Research Institute



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Chem Biol 4: 700-7 (2008)


Article DOI: 10.1038/nchembio.115
BindingDB Entry DOI: 10.7270/Q2SB443Q
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 828 total )  |  Next  |  Last  >>
Jump to: