Found 36 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)) | BDBM106698
(CHEMBL1957349 | US8586620, 42)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50355310
(CHEMBL1835113)Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106697
(CHEMBL1957353 | US8586620, 43)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(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 | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106701
(CHEMBL1957352 | US8586620, 51)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4| Show InChI InChI=1S/C20H22N4S/c1-24-8-6-15(7-9-24)17-13-22-18-5-4-14(11-16(17)18)12-23-20(21)19-3-2-10-25-19/h2-6,10-11,13,22H,7-9,12H2,1H3,(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 | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106700
(CHEMBL1957354 | US8586620, 47)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18| Show InChI InChI=1S/C19H22N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(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 | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106710
(CHEMBL1957357 | US8586620, 75)Show SMILES CSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:4.4,t:12| Show InChI InChI=1S/C16H20N4S/c1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19) | 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 | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM106698
(CHEMBL1957349 | US8586620, 42)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat nNOS |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat nNOS |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106707
(CHEMBL1957358 | US8586620, 67)Show SMILES CCSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:5.5,t:13| Show InChI InChI=1S/C17H22N4S/c1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h4-6,10-11,19H,3,7-9H2,1-2H3,(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 | 4.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50365466
(CHEMBL1957351)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccc(C)s1 |w:16.18,c:4| Show InChI InChI=1S/C20H22N4S/c1-13-3-6-19(25-13)20(21)23-15-4-5-18-16(11-15)17(12-22-18)14-7-9-24(2)10-8-14/h3-7,11-12,22H,8-10H2,1-2H3,(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 | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50355310
(CHEMBL1835113)Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(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 | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106706
(CHEMBL1957356 | US8586620, 64)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(NC(=S)NC(=O)c3ccccc3)cc12 |c:4| Show InChI InChI=1S/C22H22N4OS/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM106710
(CHEMBL1957357 | US8586620, 75)Show SMILES CSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:4.4,t:12| Show InChI InChI=1S/C16H20N4S/c1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19) | 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 | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50365470
(CHEMBL1957355)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccccc1 |w:16.18| Show InChI InChI=1S/C21H24N4/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-17(13-18(19)20)24-21(22)16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3,(H2,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM106698
(CHEMBL1957349 | US8586620, 42)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106698
(CHEMBL1957349 | US8586620, 42)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106697
(CHEMBL1957353 | US8586620, 43)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50355310
(CHEMBL1835113)Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106710
(CHEMBL1957357 | US8586620, 75)Show SMILES CSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:4.4,t:12| Show InChI InChI=1S/C16H20N4S/c1-20-7-5-11(6-8-20)14-10-18-15-4-3-12(9-13(14)15)19-16(17)21-2/h3-5,9-10,18H,6-8H2,1-2H3,(H2,17,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106706
(CHEMBL1957356 | US8586620, 64)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(NC(=S)NC(=O)c3ccccc3)cc12 |c:4| Show InChI InChI=1S/C22H22N4OS/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM106697
(CHEMBL1957353 | US8586620, 43)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(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 | 5.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106701
(CHEMBL1957352 | US8586620, 51)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4| Show InChI InChI=1S/C20H22N4S/c1-24-8-6-15(7-9-24)17-13-22-18-5-4-14(11-16(17)18)12-23-20(21)19-3-2-10-25-19/h2-6,10-11,13,22H,7-9,12H2,1H3,(H2,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50365466
(CHEMBL1957351)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccc(C)s1 |w:16.18,c:4| Show InChI InChI=1S/C20H22N4S/c1-13-3-6-19(25-13)20(21)23-15-4-5-18-16(11-15)17(12-22-18)14-7-9-24(2)10-8-14/h3-7,11-12,22H,8-10H2,1-2H3,(H2,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM106701
(CHEMBL1957352 | US8586620, 51)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4| Show InChI InChI=1S/C20H22N4S/c1-24-8-6-15(7-9-24)17-13-22-18-5-4-14(11-16(17)18)12-23-20(21)19-3-2-10-25-19/h2-6,10-11,13,22H,7-9,12H2,1H3,(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 | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106700
(CHEMBL1957354 | US8586620, 47)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18| Show InChI InChI=1S/C19H22N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM106699
(CHEMBL1957350 | US8586620, 46)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM106707
(CHEMBL1957358 | US8586620, 67)Show SMILES CCSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:5.5,t:13| Show InChI InChI=1S/C17H22N4S/c1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM106700
(CHEMBL1957354 | US8586620, 47)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18| Show InChI InChI=1S/C19H22N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(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 | 1.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50365470
(CHEMBL1957355)Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccccc1 |w:16.18| Show InChI InChI=1S/C21H24N4/c1-25-11-9-15(10-12-25)19-14-23-20-8-7-17(13-18(19)20)24-21(22)16-5-3-2-4-6-16/h2-8,13-15,23H,9-12H2,1H3,(H2,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.49E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031
BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this
Ligand-Target Pair | |
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