Found 30 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 |
|---|
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50183063
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50190798
(3-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)Show SMILES Nc1cccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22-/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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 1
(Homo sapiens (Human)) | BDBM50183063
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1 | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of human spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50183058
((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cytochrome P450 2E1
(Rattus norvegicus (rat)) | BDBM50183063
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CYP2E1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50183062
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50183068
(1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...)Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2E1
(Rattus norvegicus (rat)) | BDBM50183062
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CYP2E1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50044424
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2E1
(Rattus norvegicus (rat)) | BDBM50183058
((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CYP2E1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50183064
((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cytochrome P450 2E1
(Rattus norvegicus (rat)) | BDBM50183068
(1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...)Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CYP2E1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183068
(1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...)Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2E1
(Rattus norvegicus (rat)) | BDBM50183064
((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CYP2E1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 1
(Rattus norvegicus (rat)) | BDBM50183069
((2S,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m1/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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat spleen HO1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50044424
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2E1
(Rattus norvegicus (rat)) | BDBM50183069
((2S,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CYP2E1 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50183068
(1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...)Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain nNOS |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50190798
(3-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)Show SMILES Nc1cccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183062
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183064
((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183058
((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183069
((2S,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50183062
(1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...)Show InChI InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain nNOS |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183063
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of Sprague-Dawley rat brain HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50183063
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain nNOS |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50183064
((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain nNOS |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50183069
((2S,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain nNOS |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Heme oxygenase 2
(Rattus norvegicus (rat)) | BDBM50183063
((2R,4R)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver HO2 |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50183058
((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...)Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.73E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain nNOS |
J Med Chem 49: 4437-41 (2006)
Article DOI: 10.1021/jm0511435
BindingDB Entry DOI: 10.7270/Q2GH9JR1 |
More data for this
Ligand-Target Pair | |
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