BindingDB logo
myBDB logout

Patent code US9878996

Compile Data Set for Download or QSAR
Found 42 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 (nNOS)


(Rattus norvegicus (rat))
BDBM275051
PNG
(US9878996, Compound 7)
Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20FN5/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 
PDB
UniChem
PDB
19n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(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 
PDB
UniChem
PDB
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275054
PNG
(US9878996, Compound 27)
Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
40n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275056
PNG
(US9878996, Compound 29)
Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
54n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275053
PNG
(US9878996, Compound 26)
Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
56n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275056
PNG
(US9878996, Compound 29)
Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase (hnNOS)


(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
GoogleScholar
AffyNet 
PDB
UniChem
PDB
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275050
PNG
(US9878996, Compound 6)
Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
138n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275055
PNG
(US9878996, Compound 28)
Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
138n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275055
PNG
(US9878996, Compound 28)
Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
183n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275051
PNG
(US9878996, Compound 7)
Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20FN5/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
GoogleScholar
AffyNet 
PDB
UniChem
PDB
193n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275054
PNG
(US9878996, Compound 27)
Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
358n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275053
PNG
(US9878996, Compound 26)
Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
359n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275046
PNG
(US9878996, Compound 3)
Show SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
370n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275058
PNG
(US9878996, Compound 31)
Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1
Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
667n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275050
PNG
(US9878996, Compound 6)
Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
758n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275051
PNG
(US9878996, Compound 7)
Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20FN5/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
GoogleScholar
AffyNet 
PDB
UniChem
770n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275050
PNG
(US9878996, Compound 6)
Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
1.10E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275056
PNG
(US9878996, Compound 29)
Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
1.80E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275053
PNG
(US9878996, Compound 26)
Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
1.90E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(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
GoogleScholar
AffyNet 
PDB
UniChem
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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275049
PNG
(US9878996, Compound 5)
Show SMILES Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
PDB
2.70E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275054
PNG
(US9878996, Compound 27)
Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
2.90E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275055
PNG
(US9878996, Compound 28)
Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
3.40E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275050
PNG
(US9878996, Compound 6)
Show SMILES Fc1cccc(CCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
4.00E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275053
PNG
(US9878996, Compound 26)
Show SMILES Fc1cccc(c1)C1CC1CNCCc1ccnc(n1)-n1ccnc1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
4.00E+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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (hnNOS)


(Homo sapiens (human))
BDBM275058
PNG
(US9878996, Compound 31)
Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1
Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
4.49E+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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM50070068
PNG
(CHEMBL3407805 | US9878996, Compound 2)
Show SMILES Fc1cccc(CCN2CCN(CC2)c2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C19H21FN6/c20-17-3-1-2-16(14-17)5-8-24-10-12-25(13-11-24)18-4-6-22-19(23-18)26-9-7-21-15-26/h1-4,6-7,9,14-15H,5,8,10-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

4.70E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275051
PNG
(US9878996, Compound 7)
Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20FN5/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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
4.95E+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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275059
PNG
(US9878996, Compound 48)
Show SMILES Fc1cccc(CCNCCc2cncc(c2)-n2ccnc2)c1
Show InChI InChI=1S/C18H19FN4/c19-17-3-1-2-15(10-17)4-6-20-7-5-16-11-18(13-22-12-16)23-9-8-21-14-23/h1-3,8-14,20H,4-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
5.50E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275046
PNG
(US9878996, Compound 3)
Show SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
6.40E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275048
PNG
(US9878996, Compound 4)
Show SMILES Fc1cccc(CCNCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C16H16FN5/c17-14-3-1-2-13(10-14)4-6-18-11-15-5-7-20-16(21-15)22-9-8-19-12-22/h1-3,5,7-10,12,18H,4,6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
8.70E+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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275049
PNG
(US9878996, Compound 5)
Show SMILES Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PDB
UniChem
1.05E+4n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275055
PNG
(US9878996, Compound 28)
Show SMILES [C-]#[N+]c1cccc(CNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H16N6/c1-18-16-4-2-3-14(11-16)12-19-7-5-15-6-8-21-17(22-15)23-10-9-20-13-23/h2-4,6,8-11,13,19H,5,7,12H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
1.05E+4n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275056
PNG
(US9878996, Compound 29)
Show SMILES C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Show InChI InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
1.09E+4n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275054
PNG
(US9878996, Compound 27)
Show SMILES Fc1cccc(CC2CC2NCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C19H20FN5/c20-16-3-1-2-14(11-16)10-15-12-18(15)22-6-4-17-5-7-23-19(24-17)25-9-8-21-13-25/h1-3,5,7-9,11,13,15,18,22H,4,6,10,12H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
1.45E+4n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275046
PNG
(US9878996, Compound 3)
Show SMILES Fc1cccc(CCNCCNc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H19FN6/c18-15-3-1-2-14(12-15)4-6-19-8-9-21-16-5-7-22-17(23-16)24-11-10-20-13-24/h1-3,5,7,10-13,19H,4,6,8-9H2,(H,21,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
4.00E+4n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain (nNOS)


(Rattus norvegicus (rat))
BDBM275057
PNG
(US9878996, Compound 30)
Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnn2)c1
Show InChI InChI=1S/C17H19FN6/c18-15-5-1-3-14(13-15)4-2-8-19-9-6-16-7-10-20-17(22-16)24-12-11-21-23-24/h1,3,5,7,10-13,19H,2,4,6,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
6.00E+4n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275049
PNG
(US9878996, Compound 5)
Show SMILES Fc1cccc(CCCNCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PDB
UniChem
9.00E+4n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM275058
PNG
(US9878996, Compound 31)
Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1
Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
1.71E+5n/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)

More data for this
Ligand-Target Pair
Nitric oxide synthase (iNOS)


(Homo sapiens (human))
BDBM275058
PNG
(US9878996, Compound 31)
Show SMILES Cc1cn(cn1)-c1nccc(CCNCCCc2cccc(F)c2)n1
Show InChI InChI=1S/C19H22FN5/c1-15-13-25(14-23-15)19-22-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
2.87E+5n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%