Found 52 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401280
(CHEMBL3216124)Show InChI InChI=1S/C17H22N4S/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(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/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401282
(CHEMBL3216566)Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-3-4-15-12(10-13)6-8-21(15)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(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/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401279
(CHEMBL3215893)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(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/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401276
(CHEMBL3215678)Show SMILES Cl.Cl.OCCN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C20H26N4OS/c21-20(19-2-1-13-26-19)22-16-3-4-18-15(14-16)5-10-24(18)17-6-8-23(9-7-17)11-12-25/h1-4,13-14,17,25H,5-12H2,(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/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(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/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401275
(CHEMBL3216789)Show SMILES Cl.Cl.CN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18/h2-5,12-13,16H,6-11H2,1H3,(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/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(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/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401273
(CHEMBL3217218)Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401283
(CHEMBL3215894)Show InChI InChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-3-4-15-13(12-14)5-8-21(15)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(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/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401274
(CHEMBL3142586)Show SMILES Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-13-11-16(6-8-21-13)23-9-7-14-12-15(4-5-17(14)23)22-19(20)18-3-2-10-24-18/h2-5,10,12-13,16,21H,6-9,11H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401274
(CHEMBL3142586)Show SMILES Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-13-11-16(6-8-21-13)23-9-7-14-12-15(4-5-17(14)23)22-19(20)18-3-2-10-24-18/h2-5,10,12-13,16,21H,6-9,11H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401279
(CHEMBL3215893)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(H2,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401281
(CHEMBL3215677)Show SMILES Cl.Cl.CN1CCC(C1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C18H22N4S/c1-21-8-7-15(12-21)22-9-6-13-11-14(4-5-16(13)22)20-18(19)17-3-2-10-23-17/h2-5,10-11,15H,6-9,12H2,1H3,(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/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401278
(CHEMBL3215676)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C(=O)CN1CCCC1)c1cccs1 Show InChI InChI=1S/C19H22N4OS/c20-19(17-4-3-11-25-17)21-15-5-6-16-14(12-15)7-10-23(16)18(24)13-22-8-1-2-9-22/h3-6,11-12H,1-2,7-10,13H2,(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/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401278
(CHEMBL3215676)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C(=O)CN1CCCC1)c1cccs1 Show InChI InChI=1S/C19H22N4OS/c20-19(17-4-3-11-25-17)21-15-5-6-16-14(12-15)7-10-23(16)18(24)13-22-8-1-2-9-22/h3-6,11-12H,1-2,7-10,13H2,(H2,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401276
(CHEMBL3215678)Show SMILES Cl.Cl.OCCN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C20H26N4OS/c21-20(19-2-1-13-26-19)22-16-3-4-18-15(14-16)5-10-24(18)17-6-8-23(9-7-17)11-12-25/h1-4,13-14,17,25H,5-12H2,(H2,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha1B adrenergic receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha1A adrenergic receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of 5HT1B receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha1D adrenergic receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M2 receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401280
(CHEMBL3216124)Show InChI InChI=1S/C17H22N4S/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(H2,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(H2,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M3 receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401275
(CHEMBL3216789)Show SMILES Cl.Cl.CN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18/h2-5,12-13,16H,6-11H2,1H3,(H2,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401274
(CHEMBL3142586)Show SMILES Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-13-11-16(6-8-21-13)23-9-7-14-12-15(4-5-17(14)23)22-19(20)18-3-2-10-24-18/h2-5,10,12-13,16,21H,6-9,11H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401274
(CHEMBL3142586)Show SMILES Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-13-11-16(6-8-21-13)23-9-7-14-12-15(4-5-17(14)23)22-19(20)18-3-2-10-24-18/h2-5,10,12-13,16,21H,6-9,11H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401282
(CHEMBL3216566)Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-3-4-15-12(10-13)6-8-21(15)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20) | 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/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401283
(CHEMBL3215894)Show InChI InChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-3-4-15-13(12-14)5-8-21(15)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(H2,18,20) | 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/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401278
(CHEMBL3215676)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C(=O)CN1CCCC1)c1cccs1 Show InChI InChI=1S/C19H22N4OS/c20-19(17-4-3-11-25-17)21-15-5-6-16-14(12-15)7-10-23(16)18(24)13-22-8-1-2-9-22/h3-6,11-12H,1-2,7-10,13H2,(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/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2C adrenergic receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401280
(CHEMBL3216124)Show InChI InChI=1S/C17H22N4S/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(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/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(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/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(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/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401281
(CHEMBL3215677)Show SMILES Cl.Cl.CN1CCC(C1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C18H22N4S/c1-21-8-7-15(12-21)22-9-6-13-11-14(4-5-16(13)22)20-18(19)17-3-2-10-23-17/h2-5,10-11,15H,6-9,12H2,1H3,(H2,19,20) | 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/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2A adrenergic receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of alpha2B adrenergic receptor |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401274
(CHEMBL3142586)Show SMILES Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-13-11-16(6-8-21-13)23-9-7-14-12-15(4-5-17(14)23)22-19(20)18-3-2-10-24-18/h2-5,10,12-13,16,21H,6-9,11H2,1H3,(H2,20,22) | 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/a | n/a | 3.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401274
(CHEMBL3142586)Show SMILES Cl.Cl.CC1CC(CCN1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-13-11-16(6-8-21-13)23-9-7-14-12-15(4-5-17(14)23)22-19(20)18-3-2-10-24-18/h2-5,10,12-13,16,21H,6-9,11H2,1H3,(H2,20,22) | 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/a | n/a | 3.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401279
(CHEMBL3215893)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(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/a | n/a | 3.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401276
(CHEMBL3215678)Show SMILES Cl.Cl.OCCN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C20H26N4OS/c21-20(19-2-1-13-26-19)22-16-3-4-18-15(14-16)5-10-24(18)17-6-8-23(9-7-17)11-12-25/h1-4,13-14,17,25H,5-12H2,(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/a | n/a | 3.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401273
(CHEMBL3217218)Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401275
(CHEMBL3216789)Show SMILES Cl.Cl.CN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18/h2-5,12-13,16H,6-11H2,1H3,(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/a | n/a | 5.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50401273
(CHEMBL3217218)Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21) | 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/a | n/a | 9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006
BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this
Ligand-Target Pair | |
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