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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 275052   
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


(Rattus norvegicus (rat))
BDBM275052
PNG
(US9878996, Compound 25)
Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
32n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.


US Patent US9878996 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM275052
PNG
(US9878996, Compound 25)
Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
125n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.


US Patent US9878996 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM275052
PNG
(US9878996, Compound 25)
Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
2.00E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.


US Patent US9878996 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97PN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM275052
PNG
(US9878996, Compound 25)
Show SMILES Clc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
US Patent
8.10E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.


US Patent US9878996 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)