Found 26 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, inducible
(Mus musculus (mouse)) | BDBM50374756
(CHEMBL536560)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccccc1)=N[N+]([O-])=O |w:25.27| Show InChI InChI=1S/C18H27N7O4/c19-18(24-25(28)29)20-10-6-2-5-9-16(26)22-14-11-15(21-12-14)17(27)23-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,21H,2,5-6,9-12H2,(H,22,26)(H,23,27)(H3,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374746
(CHEMBL536313)Show SMILES Cc1ccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)cc1Cl |w:24.25| Show InChI InChI=1S/C19H28ClN7O4/c1-12-6-7-13(9-15(12)20)25-18(29)16-10-14(11-23-16)24-17(28)5-3-2-4-8-22-19(21)26-27(30)31/h6-7,9,14,16,23H,2-5,8,10-11H2,1H3,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374737
(CHEMBL536540)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccc(F)c(F)c1)=N[N+]([O-])=O |w:27.29| Show InChI InChI=1S/C18H25F2N7O4/c19-13-6-5-11(8-14(13)20)25-17(29)15-9-12(10-23-15)24-16(28)4-2-1-3-7-22-18(21)26-27(30)31/h5-6,8,12,15,23H,1-4,7,9-10H2,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374742
(CHEMBL535863)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)NC1CCCCC1)=N[N+]([O-])=O |w:25.27| Show InChI InChI=1S/C18H33N7O4/c19-18(24-25(28)29)20-10-6-2-5-9-16(26)22-14-11-15(21-12-14)17(27)23-13-7-3-1-4-8-13/h13-15,21H,1-12H2,(H,22,26)(H,23,27)(H3,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374752
(CHEMBL559174)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1cc(F)cc(F)c1)=N[N+]([O-])=O |w:27.29| Show InChI InChI=1S/C18H25F2N7O4/c19-11-6-12(20)8-13(7-11)25-17(29)15-9-14(10-23-15)24-16(28)4-2-1-3-5-22-18(21)26-27(30)31/h6-8,14-15,23H,1-5,9-10H2,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374736
(CHEMBL558568)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1cccc(Cl)c1)=N[N+]([O-])=O |w:26.28| Show InChI InChI=1S/C18H26ClN7O4/c19-12-5-4-6-13(9-12)24-17(28)15-10-14(11-22-15)23-16(27)7-2-1-3-8-21-18(20)25-26(29)30/h4-6,9,14-15,22H,1-3,7-8,10-11H2,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| 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 |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374738
(CHEMBL536091)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccccc1F)=N[N+]([O-])=O |w:26.28| Show InChI InChI=1S/C18H26FN7O4/c19-13-6-3-4-7-14(13)24-17(28)15-10-12(11-22-15)23-16(27)8-2-1-5-9-21-18(20)25-26(29)30/h3-4,6-7,12,15,22H,1-2,5,8-11H2,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/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
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374748
(CHEMBL541652)Show SMILES NC(NCCCCCC(=O)N[C@@H]1CN[C@@H](C1)C(=O)Nc1ccc(Cl)cc1Cl)=N[N+]([O-])=O |r,w:27.29| Show InChI InChI=1S/C18H25Cl2N7O4/c19-11-5-6-14(13(20)8-11)25-17(29)15-9-12(10-23-15)24-16(28)4-2-1-3-7-22-18(21)26-27(30)31/h5-6,8,12,15,23H,1-4,7,9-10H2,(H,24,28)(H,25,29)(H3,21,22,26)/t12-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374740
(CHEMBL537458)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccc(cc1)[N+]([O-])=O)=N[N+]([O-])=O |w:28.30| Show InChI InChI=1S/C18H26N8O6/c19-18(24-26(31)32)20-9-3-1-2-4-16(27)22-13-10-15(21-11-13)17(28)23-12-5-7-14(8-6-12)25(29)30/h5-8,13,15,21H,1-4,9-11H2,(H,22,27)(H,23,28)(H3,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374732
(CHEMBL541140)Show SMILES COc1ccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)cc1 |w:25.26| Show InChI InChI=1S/C19H29N7O5/c1-31-15-8-6-13(7-9-15)24-18(28)16-11-14(12-22-16)23-17(27)5-3-2-4-10-21-19(20)25-26(29)30/h6-9,14,16,22H,2-5,10-12H2,1H3,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374751
(CHEMBL536334)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccc(F)c(F)c1F)=N[N+]([O-])=O |w:28.30| Show InChI InChI=1S/C18H24F3N7O4/c19-11-5-6-12(16(21)15(11)20)26-17(30)13-8-10(9-24-13)25-14(29)4-2-1-3-7-23-18(22)27-28(31)32/h5-6,10,13,24H,1-4,7-9H2,(H,25,29)(H,26,30)(H3,22,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374733
(CHEMBL557950)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)NCc1ccccc1)=N[N+]([O-])=O |w:26.28| Show InChI InChI=1S/C19H29N7O4/c20-19(25-26(29)30)21-10-6-2-5-9-17(27)24-15-11-16(22-13-15)18(28)23-12-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,22H,2,5-6,9-13H2,(H,23,28)(H,24,27)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374741
(CHEMBL537455)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1cccc(c1)[N+]([O-])=O)=N[N+]([O-])=O |w:28.30| Show InChI InChI=1S/C18H26N8O6/c19-18(24-26(31)32)20-8-3-1-2-7-16(27)22-13-10-15(21-11-13)17(28)23-12-5-4-6-14(9-12)25(29)30/h4-6,9,13,15,21H,1-3,7-8,10-11H2,(H,22,27)(H,23,28)(H3,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374739
(CHEMBL558045)Show SMILES NC(NCCCCCC(=O)N[C@@H]1CN[C@@H](C1)C(=O)Nc1ccc(Br)cc1)=N[N+]([O-])=O |r,w:26.28| Show InChI InChI=1S/C18H26BrN7O4/c19-12-5-7-13(8-6-12)24-17(28)15-10-14(11-22-15)23-16(27)4-2-1-3-9-21-18(20)25-26(29)30/h5-8,14-15,22H,1-4,9-11H2,(H,23,27)(H,24,28)(H3,20,21,25)/t14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374749
(CHEMBL536316)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccc(Cl)cc1)=N[N+]([O-])=O |w:26.28| Show InChI InChI=1S/C18H26ClN7O4/c19-12-5-7-13(8-6-12)24-17(28)15-10-14(11-22-15)23-16(27)4-2-1-3-9-21-18(20)25-26(29)30/h5-8,14-15,22H,1-4,9-11H2,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374754
(CHEMBL536092)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1ccc(F)cc1)=N[N+]([O-])=O |w:26.28| Show InChI InChI=1S/C18H26FN7O4/c19-12-5-7-13(8-6-12)24-17(28)15-10-14(11-22-15)23-16(27)4-2-1-3-9-21-18(20)25-26(29)30/h5-8,14-15,22H,1-4,9-11H2,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374735
(CHEMBL535641)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1cc(Cl)cc(Cl)c1)=N[N+]([O-])=O |w:27.29| Show InChI InChI=1S/C18H25Cl2N7O4/c19-11-6-12(20)8-13(7-11)25-17(29)15-9-14(10-23-15)24-16(28)4-2-1-3-5-22-18(21)26-27(30)31/h6-8,14-15,23H,1-5,9-10H2,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374747
(CHEMBL537245)Show SMILES NC(NCCCCCC(=O)NC1CNC(C1)C(=O)Nc1cc(Cl)ccc1Cl)=N[N+]([O-])=O |w:27.29| Show InChI InChI=1S/C18H25Cl2N7O4/c19-11-5-6-13(20)14(8-11)25-17(29)15-9-12(10-23-15)24-16(28)4-2-1-3-7-22-18(21)26-27(30)31/h5-6,8,12,15,23H,1-4,7,9-10H2,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374750
(CHEMBL541912)Show SMILES NC(NCCCCCC(=O)N[C@@H]1CN[C@@H](C1)C(=O)Nc1ccccc1Cl)=N[N+]([O-])=O |r,w:26.28| Show InChI InChI=1S/C18H26ClN7O4/c19-13-6-3-4-7-14(13)24-17(28)15-10-12(11-22-15)23-16(27)8-2-1-5-9-21-18(20)25-26(29)30/h3-4,6-7,12,15,22H,1-2,5,8-11H2,(H,23,27)(H,24,28)(H3,20,21,25)/t12-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374745
(CHEMBL537915)Show SMILES Cc1ccccc1NC(=O)C1CC(CN1)NC(=O)CCCCCNC(N)=N[N+]([O-])=O |w:26.28| Show InChI InChI=1S/C19H29N7O4/c1-13-7-4-5-8-15(13)24-18(28)16-11-14(12-22-16)23-17(27)9-3-2-6-10-21-19(20)25-26(29)30/h4-5,7-8,14,16,22H,2-3,6,9-12H2,1H3,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374744
(CHEMBL537470)Show SMILES Cc1cccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)c1 |w:25.26| Show InChI InChI=1S/C19H29N7O4/c1-13-6-5-7-14(10-13)24-18(28)16-11-15(12-22-16)23-17(27)8-3-2-4-9-21-19(20)25-26(29)30/h5-7,10,15-16,22H,2-4,8-9,11-12H2,1H3,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374743
(CHEMBL556961)Show SMILES Cc1ccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)c(C)c1 |w:24.25| Show InChI InChI=1S/C20H31N7O4/c1-13-7-8-16(14(2)10-13)25-19(29)17-11-15(12-23-17)24-18(28)6-4-3-5-9-22-20(21)26-27(30)31/h7-8,10,15,17,23H,3-6,9,11-12H2,1-2H3,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374734
(CHEMBL558773)Show SMILES Cc1ccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)cc1 |w:24.25| Show InChI InChI=1S/C19H29N7O4/c1-13-6-8-14(9-7-13)24-18(28)16-11-15(12-22-16)23-17(27)5-3-2-4-10-21-19(20)25-26(29)30/h6-9,15-16,22H,2-5,10-12H2,1H3,(H,23,27)(H,24,28)(H3,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374753
(CHEMBL553559)Show SMILES NC(NCCCCCC(=O)N[C@@H]1CN[C@@H](C1)C(=O)Nc1ccc(F)cc1F)=N[N+]([O-])=O |r,w:27.29| Show InChI InChI=1S/C18H25F2N7O4/c19-11-5-6-14(13(20)8-11)25-17(29)15-9-12(10-23-15)24-16(28)4-2-1-3-7-22-18(21)26-27(30)31/h5-6,8,12,15,23H,1-4,7,9-10H2,(H,24,28)(H,25,29)(H3,21,22,26)/t12-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.39E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Mus musculus (mouse)) | BDBM50374755
(CHEMBL559190)Show SMILES CCOc1ccc(NC(=O)C2CC(CN2)NC(=O)CCCCCNC(N)=N[N+]([O-])=O)cc1 |w:26.27| Show InChI InChI=1S/C20H31N7O5/c1-2-32-16-9-7-14(8-10-16)25-19(29)17-12-15(13-23-17)24-18(28)6-4-3-5-11-22-20(21)26-27(30)31/h7-10,15,17,23H,2-6,11-13H2,1H3,(H,24,28)(H,25,29)(H3,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages |
Bioorg Med Chem 16: 578-85 (2008)
Article DOI: 10.1016/j.bmc.2007.04.030
BindingDB Entry DOI: 10.7270/Q2P55PCN |
More data for this
Ligand-Target Pair | |
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