BindingDB logo
myBDB logout

null

SMILES: NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1

InChI Key: InChIKey=AJUMWQHTJSVBPG-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50206066   
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, inducible


(Rattus norvegicus)
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat inducible 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, inducible


(Homo sapiens (Human))
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
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+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human inducible 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


(Rattus norvegicus (rat))
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat 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))
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
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 300n/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, endothelial


(Rattus norvegicus)
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat endothelial 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, endothelial


(Homo sapiens (Human))
BDBM50206066
PNG
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28)
PDB

UniProtKB/SwissProt

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 human endothelial 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