BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'mataka' and Initial = 'j'   
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))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

MMDB
PDB
Article
PubMed
7n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352520
PNG
(CHEMBL1824857)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H28F2N4O/c1-14-7-18(27-21(24)8-14)10-16-11-26-13-20(16)28-6-5-25-12-19(23)15-3-2-4-17(22)9-15/h2-4,7-9,16,19-20,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19?,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50429229
PNG
(CHEMBL2332793)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@@H]2c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C22H29FN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19-,20+,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50430745
PNG
(CHEMBL2333951)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNc1ccccc1CC[NH3+] |r,w:8.8|
Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/p+1/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50430742
PNG
(Blutene | TOLONIUM CHLORIDE | Toluidine Blue O)
Show SMILES Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C |(19,-12.67,;17.67,-11.9,;16.33,-12.67,;15,-11.9,;13.67,-12.67,;12.34,-11.9,;11,-12.67,;9.67,-11.9,;9.67,-10.36,;11,-9.59,;12.34,-10.36,;13.67,-9.59,;15,-10.36,;16.33,-9.59,;17.67,-10.36,;19,-9.59,;8.33,-9.59,;7,-10.36,;8.33,-8.05,)|
Show InChI InChI=1S/C15H15N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8,16H,1-3H3/p+1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant tau (unknown origin) aggregation


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


(Rattus norvegicus (rat))
BDBM50429228
PNG
(CHEMBL2332789)
Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50429228
PNG
(CHEMBL2332789)
Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
71n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352521
PNG
(CHEMBL1824858)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cc(F)cc(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H26ClF3N4O/c1-13-4-18(29-20(26)5-13)6-14-10-28-11-19(14)30-3-2-27-12-21(24,25)15-7-16(22)9-17(23)8-15/h4-5,7-9,14,19,27-28H,2-3,6,10-12H2,1H3,(H2,26,29)/t14-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
77n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352518
PNG
(CHEMBL1824855)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H27ClF2N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
86n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM21961
PNG
((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...)
Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|
Show InChI InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352517
PNG
(CHEMBL1614782)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H27F3N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

MMDB
Article
PubMed
110n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50430746
PNG
(CHEMBL2333950)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)CNCC[NH3+] |r,w:8.8|
Show InChI InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/p+1/t7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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


(Rattus norvegicus (rat))
BDBM50430747
PNG
(CHEMBL2333949)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(=O)N[C@@H](CC[NH3+])C(N)=O |r,w:8.8|
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/p+1/t6-,7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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


(Rattus norvegicus (rat))
BDBM50429230
PNG
(CHEMBL2332791)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC2CC2c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C22H29ClN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19?,20?,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352516
PNG
(CHEMBL1614783)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C21H27F3N4O/c1-14-8-18(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)16-2-4-17(22)5-3-16/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
160n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352519
PNG
(CHEMBL1824856)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccccc2Cl)c1 |r|
Show InChI InChI=1S/C21H27ClF2N4O/c1-14-8-16(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)17-4-2-3-5-18(17)22/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
170n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50429229
PNG
(CHEMBL2332793)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@@H]2c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C22H29FN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19-,20+,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
170n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50429231
PNG
(CHEMBL2332792)
Show SMILES Cc1cccc(c1)C1CC1NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C23H32N4O/c1-15-4-3-5-17(8-15)20-12-21(20)26-6-7-28-22-14-25-13-18(22)11-19-9-16(2)10-23(24)27-19/h3-5,8-10,18,20-22,25-26H,6-7,11-14H2,1-2H3,(H2,24,27)/t18-,20?,21?,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
175n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50352522
PNG
(CHEMBL1824859)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(F)c2F)c1 |r|
Show InChI InChI=1S/C21H26F4N4O/c1-13-7-15(29-19(26)8-13)9-14-10-28-11-18(14)30-6-5-27-12-21(24,25)16-3-2-4-17(22)20(16)23/h2-4,7-8,14,18,27-28H,5-6,9-12H2,1H3,(H2,26,29)/t14-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
180n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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


(Rattus norvegicus (rat))
BDBM50366043
PNG
(CHEMBL1956740 | US8927730, 3c)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2O)c1 |r|
Show InChI InChI=1S/C20H28N4O2/c1-14-8-17(24-20(21)9-14)10-16-12-23-13-19(16)26-7-6-22-11-15-4-2-3-5-18(15)25/h2-5,8-9,16,19,22-23,25H,6-7,10-13H2,1H3,(H2,21,24)/t16-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
390n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50366044
PNG
(CHEMBL1956741 | US8927730, 3d)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1 |r|
Show InChI InChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
400n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50366041
PNG
(CHEMBL1956738 | US8927730, 3a)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 |r|
Show InChI InChI=1S/C20H27FN4O/c1-14-8-17(25-20(22)9-14)10-16-12-24-13-19(16)26-7-6-23-11-15-4-2-3-5-18(15)21/h2-5,8-9,16,19,23-24H,6-7,10-13H2,1H3,(H2,22,25)/t16-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
410n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50240716
PNG
((S)-2-Amino-5-(N'-propyl-guanidino)-pentanoic acid...)
Show SMILES CCCNC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6|
Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

MMDB
Article
PubMed
550n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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


(Rattus norvegicus (rat))
BDBM50002450
PNG
((2S)-2-ammonio-5-{[(cyclopropylamino)(iminio)methy...)
Show SMILES [NH3+][C@@H](CCCNC(=[NH2+])NC1CC1)C([O-])=O
Show InChI InChI=1S/C9H18N4O2/c10-7(8(14)15)2-1-5-12-9(11)13-6-3-4-6/h6-7H,1-5,10H2,(H,14,15)(H3,11,12,13)/p+1/t7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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


(Rattus norvegicus (rat))
BDBM50366042
PNG
(CHEMBL1956739 | US8927730, 3b)
Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
820n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50429228
PNG
(CHEMBL2332789)
Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
860n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50430748
PNG
(CHEMBL2333948)
Show SMILES COC(=O)[C@@H](CCCNC(N)=N[N+]([O-])=O)NC(=O)[C@H]([NH3+])Cc1ccccc1 |r,w:11.11|
Show InChI InChI=1S/C16H24N6O5/c1-27-15(24)13(8-5-9-19-16(18)21-22(25)26)20-14(23)12(17)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,20,23)(H3,18,19,21)/p+1/t12-,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat 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, inducible


(Mus musculus (mouse))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50429228
PNG
(CHEMBL2332789)
Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
7.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50429230
PNG
(CHEMBL2332791)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNC2CC2c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C22H29ClN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19?,20?,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50429229
PNG
(CHEMBL2332793)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@@H]2c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C22H29FN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19-,20+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50429231
PNG
(CHEMBL2332792)
Show SMILES Cc1cccc(c1)C1CC1NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C23H32N4O/c1-15-4-3-5-17(8-15)20-12-21(20)26-6-7-28-22-14-25-13-18(22)11-19-9-16(2)10-23(24)27-19/h3-5,8-10,18,20-22,25-26H,6-7,11-14H2,1-2H3,(H2,24,27)/t18-,20?,21?,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50352518
PNG
(CHEMBL1824855)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H27ClF2N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50429229
PNG
(CHEMBL2332793)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCN[C@H]2C[C@@H]2c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C22H29FN4O/c1-14-7-18(27-22(24)8-14)10-16-12-25-13-21(16)28-6-5-26-20-11-19(20)15-3-2-4-17(23)9-15/h2-4,7-9,16,19-21,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19-,20+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assa...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50352521
PNG
(CHEMBL1824858)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cc(F)cc(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H26ClF3N4O/c1-13-4-18(29-20(26)5-13)6-14-10-28-11-19(14)30-3-2-27-12-21(24,25)15-7-16(22)9-17(23)8-15/h4-5,7-9,14,19,27-28H,2-3,6,10-12H2,1H3,(H2,26,29)/t14-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50352521
PNG
(CHEMBL1824858)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cc(F)cc(Cl)c2)c1 |r|
Show InChI InChI=1S/C21H26ClF3N4O/c1-13-4-18(29-20(26)5-13)6-14-10-28-11-19(14)30-3-2-27-12-21(24,25)15-7-16(22)9-17(23)8-15/h4-5,7-9,14,19,27-28H,2-3,6,10-12H2,1H3,(H2,26,29)/t14-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50352520
PNG
(CHEMBL1824857)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H28F2N4O/c1-14-7-18(27-21(24)8-14)10-16-11-26-13-20(16)28-6-5-25-12-19(23)15-3-2-4-17(22)9-15/h2-4,7-9,16,19-20,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19?,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture ass...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50352517
PNG
(CHEMBL1614782)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H27F3N4O/c1-14-7-18(28-20(25)8-14)9-15-11-27-12-19(15)29-6-5-26-13-21(23,24)16-3-2-4-17(22)10-16/h2-4,7-8,10,15,19,26-27H,5-6,9,11-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50352520
PNG
(CHEMBL1824857)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H28F2N4O/c1-14-7-18(27-21(24)8-14)10-16-11-26-13-20(16)28-6-5-25-12-19(23)15-3-2-4-17(22)9-15/h2-4,7-9,16,19-20,25-26H,5-6,10-13H2,1H3,(H2,24,27)/t16-,19?,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50429228
PNG
(CHEMBL2332789)
Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture ass...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50352519
PNG
(CHEMBL1824856)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccccc2Cl)c1 |r|
Show InChI InChI=1S/C21H27ClF2N4O/c1-14-8-16(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)17-4-2-3-5-18(17)22/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50352516
PNG
(CHEMBL1614783)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C21H27F3N4O/c1-14-8-18(28-20(25)9-14)10-15-11-27-12-19(15)29-7-6-26-13-21(23,24)16-2-4-17(22)5-3-16/h2-5,8-9,15,19,26-27H,6-7,10-13H2,1H3,(H2,25,28)/t15-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.10E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay


J Med Chem 54: 6399-403 (2011)


Article DOI: 10.1021/jm200411j
BindingDB Entry DOI: 10.7270/Q2TX3FRR
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50429231
PNG
(CHEMBL2332792)
Show SMILES Cc1cccc(c1)C1CC1NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C23H32N4O/c1-15-4-3-5-17(8-15)20-12-21(20)26-6-7-28-22-14-25-13-18(22)11-19-9-16(2)10-23(24)27-19/h3-5,8-10,18,20-22,25-26H,6-7,11-14H2,1-2H3,(H2,24,27)/t18-,20?,21?,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.10E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture ass...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50366044
PNG
(CHEMBL1956741 | US8927730, 3d)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccco2)c1 |r|
Show InChI InChI=1S/C18H26N4O2/c1-13-7-15(22-18(19)8-13)9-14-10-21-12-17(14)24-6-4-20-11-16-3-2-5-23-16/h2-3,5,7-8,14,17,20-21H,4,6,9-12H2,1H3,(H2,19,22)/t14-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.60E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50366043
PNG
(CHEMBL1956740 | US8927730, 3c)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2O)c1 |r|
Show InChI InChI=1S/C20H28N4O2/c1-14-8-17(24-20(21)9-14)10-16-12-23-13-19(16)26-7-6-22-11-15-4-2-3-5-18(15)25/h2-5,8-9,16,19,22-23,25H,6-7,10-13H2,1H3,(H2,21,24)/t16-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50366041
PNG
(CHEMBL1956738 | US8927730, 3a)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 |r|
Show InChI InChI=1S/C20H27FN4O/c1-14-8-17(25-20(22)9-14)10-16-12-24-13-19(16)26-7-6-23-11-15-4-2-3-5-18(15)21/h2-5,8-9,16,19,23-24H,6-7,10-13H2,1H3,(H2,22,25)/t16-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50429228
PNG
(CHEMBL2332789)
Show SMILES C[C@H](Cc1cccc(F)c1)NCCO[C@H]1CNC[C@H]1Cc1cc(C)cc(N)n1 |r|
Show InChI InChI=1S/C22H31FN4O/c1-15-8-20(27-22(24)9-15)12-18-13-25-14-21(18)28-7-6-26-16(2)10-17-4-3-5-19(23)11-17/h3-5,8-9,11,16,18,21,25-26H,6-7,10,12-14H2,1-2H3,(H2,24,27)/t16-,18-,21+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
4.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture ass...


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50366041
PNG
(CHEMBL1956738 | US8927730, 3a)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 |r|
Show InChI InChI=1S/C20H27FN4O/c1-14-8-17(25-20(22)9-14)10-16-12-24-13-19(16)26-7-6-23-11-15-4-2-3-5-18(15)21/h2-5,8-9,16,19,23-24H,6-7,10-13H2,1H3,(H2,22,25)/t16-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 20: 2435-43 (2012)


Article DOI: 10.1016/j.bmc.2012.01.037
BindingDB Entry DOI: 10.7270/Q26110TZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 88 total )  |  Next  |  Last  >>
Jump to: