BindingDB logo
myBDB logout

PubMed code 21824773

Compile data set for download or QSAR
Found 46 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, brain


(Homo sapiens (Human))
BDBM106740
PNG
(CHEMBL1823369 | US8586620, 158)
Show SMILES CCN(CC)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.18|
Show InChI InChI=1S/C20H26N4S/c1-3-23(4-2)11-6-12-24-13-10-16-8-9-17(15-18(16)24)22-20(21)19-7-5-14-25-19/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H2,21,22)
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 150n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106737
PNG
(CHEMBL1823366 | US8586620, 139)
Show SMILES CN1CCC[C@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50352768
PNG
(CHEMBL1823364)
Show SMILES CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106746
PNG
(CHEMBL1823375 | US8586620, 168)
Show SMILES CN(C)CCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:16.17|
Show InChI InChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
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 260n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106736
PNG
(CHEMBL1823365 | US8586620, 138)
Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106741
PNG
(CHEMBL1823370 | US8586620, 159)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4S/c21-20(19-5-3-14-25-19)22-17-7-6-16-8-13-24(18(16)15-17)12-4-11-23-9-1-2-10-23/h3,5-8,13-15H,1-2,4,9-12H2,(H2,21,22)
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 450n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106734
PNG
(CHEMBL1823363 | US8586620, 136)
Show SMILES NC(=Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22)
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 490n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50352772
PNG
(CHEMBL1823368)
Show SMILES CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1ccco1 |w:17.19|
Show InChI InChI=1S/C20H24N4O/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22)
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 520n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106739
PNG
(CHEMBL1823371 | US8586620, 157)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4OS/c21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22)
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 700n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106738
PNG
(CHEMBL1823367 | US8586620, 156)
Show SMILES CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22)
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 870n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106749
PNG
(CHEMBL1823378 | US8586620, 184)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 |w:2.2|
Show InChI InChI=1S/C20H24N4O2/c21-20(17-5-11-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-12-25-13-10-23/h2-5,8,11,14-15H,1,6-7,9-10,12-13H2,(H2,21,22)
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 1.00E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50352772
PNG
(CHEMBL1823368)
Show SMILES CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1ccco1 |w:17.19|
Show InChI InChI=1S/C20H24N4O/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22)
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 1.20E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106732
PNG
(CHEMBL1823362 | US8586620, 66)
Show SMILES CN(C)CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
Show InChI InChI=1S/C17H20N4S/c1-20(2)9-10-21-8-7-13-5-6-14(12-15(13)21)19-17(18)16-4-3-11-22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,18,19)
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 1.20E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106745
PNG
(CHEMBL1823376 | US8586620, 167)
Show SMILES NC(=Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H21N5S/c21-20(19-4-3-13-26-19)23-17-6-5-16-7-11-25(18(16)14-17)10-2-1-9-24-12-8-22-15-24/h3-8,11-15H,1-2,9-10H2,(H2,21,23)
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 1.22E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106747
PNG
(CHEMBL1823377 | US8586620, 182)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 |w:2.2|
Show InChI InChI=1S/C20H24N4OS/c21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23/h2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22)
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 1.40E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106743
PNG
(CHEMBL1823373 | US8586620, 161)
Show SMILES CNCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
Show InChI InChI=1S/C17H20N4S/c1-19-8-3-9-21-10-7-13-5-6-14(12-15(13)21)20-17(18)16-4-2-11-22-16/h2,4-7,10-12,19H,3,8-9H2,1H3,(H2,18,20)
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 1.78E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106748
PNG
(CHEMBL1823374 | US8586620, 183)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1 |w:2.2|
Show InChI InChI=1S/C20H24N4O2/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22)
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 2.40E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106746
PNG
(CHEMBL1823375 | US8586620, 168)
Show SMILES CN(C)CCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:16.17|
Show InChI InChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.53E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM106742
PNG
(CHEMBL1823372 | US8586620, 160)
Show SMILES CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
Show InChI InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)
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 2.73E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106734
PNG
(CHEMBL1823363 | US8586620, 136)
Show SMILES NC(=Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106740
PNG
(CHEMBL1823369 | US8586620, 158)
Show SMILES CCN(CC)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.18|
Show InChI InChI=1S/C20H26N4S/c1-3-23(4-2)11-6-12-24-13-10-16-8-9-17(15-18(16)24)22-20(21)19-7-5-14-25-19/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106741
PNG
(CHEMBL1823370 | US8586620, 159)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4S/c21-20(19-5-3-14-25-19)22-17-7-6-16-8-13-24(18(16)15-17)12-4-11-23-9-1-2-10-23/h3,5-8,13-15H,1-2,4,9-12H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106743
PNG
(CHEMBL1823373 | US8586620, 161)
Show SMILES CNCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
Show InChI InChI=1S/C17H20N4S/c1-19-8-3-9-21-10-7-13-5-6-14(12-15(13)21)20-17(18)16-4-2-11-22-16/h2,4-7,10-12,19H,3,8-9H2,1H3,(H2,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106732
PNG
(CHEMBL1823362 | US8586620, 66)
Show SMILES CN(C)CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
Show InChI InChI=1S/C17H20N4S/c1-20(2)9-10-21-8-7-13-5-6-14(12-15(13)21)19-17(18)16-4-3-11-22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106736
PNG
(CHEMBL1823365 | US8586620, 138)
Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106747
PNG
(CHEMBL1823377 | US8586620, 182)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 |w:2.2|
Show InChI InChI=1S/C20H24N4OS/c21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23/h2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50352768
PNG
(CHEMBL1823364)
Show SMILES CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106749
PNG
(CHEMBL1823378 | US8586620, 184)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 |w:2.2|
Show InChI InChI=1S/C20H24N4O2/c21-20(17-5-11-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-12-25-13-10-23/h2-5,8,11,14-15H,1,6-7,9-10,12-13H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106734
PNG
(CHEMBL1823363 | US8586620, 136)
Show SMILES NC(=Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22)
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 2.10E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106745
PNG
(CHEMBL1823376 | US8586620, 167)
Show SMILES NC(=Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H21N5S/c21-20(19-4-3-13-26-19)23-17-6-5-16-7-11-25(18(16)14-17)10-2-1-9-24-12-8-22-15-24/h3-8,11-15H,1-2,9-10H2,(H2,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106742
PNG
(CHEMBL1823372 | US8586620, 160)
Show SMILES CN(C)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:15.16|
Show InChI InChI=1S/C18H22N4S/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.33E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106737
PNG
(CHEMBL1823366 | US8586620, 139)
Show SMILES CN1CCC[C@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106739
PNG
(CHEMBL1823371 | US8586620, 157)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4OS/c21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.83E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50352772
PNG
(CHEMBL1823368)
Show SMILES CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1ccco1 |w:17.19|
Show InChI InChI=1S/C20H24N4O/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.06E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106748
PNG
(CHEMBL1823374 | US8586620, 183)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1 |w:2.2|
Show InChI InChI=1S/C20H24N4O2/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106748
PNG
(CHEMBL1823374 | US8586620, 183)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccco1 |w:2.2|
Show InChI InChI=1S/C20H24N4O2/c21-20(19-3-1-12-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-13-25-14-11-23/h1,3-6,9,12,15H,2,7-8,10-11,13-14H2,(H2,21,22)
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 3.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM106738
PNG
(CHEMBL1823367 | US8586620, 156)
Show SMILES CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.77E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106732
PNG
(CHEMBL1823362 | US8586620, 66)
Show SMILES CN(C)CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15|
Show InChI InChI=1S/C17H20N4S/c1-20(2)9-10-21-8-7-13-5-6-14(12-15(13)21)19-17(18)16-4-3-11-22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,18,19)
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 6.00E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106746
PNG
(CHEMBL1823375 | US8586620, 168)
Show SMILES CN(C)CCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:16.17|
Show InChI InChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
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 6.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50352768
PNG
(CHEMBL1823364)
Show SMILES CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

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 6.80E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106747
PNG
(CHEMBL1823377 | US8586620, 182)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 |w:2.2|
Show InChI InChI=1S/C20H24N4OS/c21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23/h2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22)
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 7.00E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106737
PNG
(CHEMBL1823366 | US8586620, 139)
Show SMILES CN1CCC[C@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

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 7.20E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106736
PNG
(CHEMBL1823365 | US8586620, 138)
Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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

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 7.20E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106739
PNG
(CHEMBL1823371 | US8586620, 157)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H24N4OS/c21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22)
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 8.20E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106749
PNG
(CHEMBL1823378 | US8586620, 184)
Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 |w:2.2|
Show InChI InChI=1S/C20H24N4O2/c21-20(17-5-11-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-12-25-13-10-23/h2-5,8,11,14-15H,1,6-7,9-10,12-13H2,(H2,21,22)
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>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM106745
PNG
(CHEMBL1823376 | US8586620, 167)
Show SMILES NC(=Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H21N5S/c21-20(19-4-3-13-26-19)23-17-6-5-16-7-11-25(18(16)14-17)10-2-1-9-24-12-8-22-15-24/h3-8,11-15H,1-2,9-10H2,(H2,21,23)
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



NeurAxon Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 5234-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.042
BindingDB Entry DOI: 10.7270/Q2JD4X63
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%