Found 164 hits Enz. Inhib. hit(s) with all data for entry = 50040168 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 |
|---|
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390216
(CHEMBL2070151)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)c(c1)-c1ccccc1 Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)15-8-10-18(22)17(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390219
(CHEMBL2070148)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)c(c1)-c1ccccc1 Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)15-8-10-18(22)17(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390213
(CHEMBL2069316)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(C)c(c1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)17-10-9-15(2)19(13-17)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390228
(CHEMBL2070161)Show SMILES FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1 Show InChI InChI=1S/C20H14F3N3O3S/c21-20(22,23)12-30(28,29)15-7-8-16-17(10-15)25-19(24-16)13-6-9-18(27)26(11-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390232
(CHEMBL2070157)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-19(13-16)23-20(22-17)15-10-11-21-18(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390225
(CHEMBL2070140)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-2-13-27(25,26)19-11-12-20-21(15-19)24-22(23-20)18-10-6-9-17(14-18)16-7-4-3-5-8-16/h3-12,14-15H,2,13H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390222
(CHEMBL2070137)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O2S/c1-2-26(24,25)18-11-12-19-20(14-18)23-21(22-19)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390220
(CHEMBL2070147)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1F)-c1ccccc1 Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)17-12-15(8-10-18(17)22)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390234
(CHEMBL2070155)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-18(13-16)23-20(22-17)19-12-15(10-11-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390233
(CHEMBL2070156)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cncc(c1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)17-8-9-18-19(11-17)23-20(22-18)16-10-15(12-21-13-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390231
(CHEMBL2070158)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1 Show InChI InChI=1S/C21H19N3O3S/c1-2-12-28(26,27)17-9-10-18-19(13-17)23-21(22-18)15-8-11-20(25)24(14-15)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390229
(CHEMBL2070160)Show SMILES FC(F)(F)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)29(27,28)14-7-8-15-16(10-14)24-18(23-15)12-6-9-17(26)25(11-12)13-4-2-1-3-5-13/h1-11H,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390221
(CHEMBL2070146)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1F Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)15-11-12-18-19(13-15)24-21(23-18)17-10-6-9-16(20(17)22)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390224
(CHEMBL2070141)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-2-14-27(25,26)19-12-13-20-21(15-19)24-22(23-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390230
(CHEMBL2070159)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3S/c1-22(2,3)29(27,28)17-10-11-18-19(13-17)24-21(23-18)15-9-12-20(26)25(14-15)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390237
(CHEMBL2070144)Show SMILES CCCS(=O)(=O)c1ccc2[nH]c(cc2c1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C23H21NO2S/c1-2-13-27(25,26)21-11-12-22-20(15-21)16-23(24-22)19-10-6-9-18(14-19)17-7-4-3-5-8-17/h3-12,14-16,24H,2,13H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50365416
(CHEMBL1585484)Show SMILES Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C18H18ClN3O3S2/c19-14-3-1-2-13(10-14)12-26-18-20-16-5-4-15(11-17(16)21-18)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390215
(CHEMBL2070152)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1C)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-3-27(25,26)17-12-13-20-21(14-17)24-22(23-20)19-11-7-10-18(15(19)2)16-8-5-4-6-9-16/h4-14H,3H2,1-2H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390217
(CHEMBL2070150)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1Cl)-c1ccccc1 Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)17-12-15(8-10-18(17)22)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390212
(CHEMBL2070154)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)15-11-12-17-19(13-15)23-20(22-17)18-10-6-9-16(21-18)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390218
(CHEMBL2070149)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)15-11-12-18-19(13-15)24-21(23-18)17-10-6-9-16(20(17)22)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390223
(CHEMBL2070142)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O2S/c1-2-8-25(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390214
(CHEMBL2070153)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1C)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)19-13-17(10-9-15(19)2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 383 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390217
(CHEMBL2070150)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1Cl)-c1ccccc1 Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)17-12-15(8-10-18(17)22)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390222
(CHEMBL2070137)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O2S/c1-2-26(24,25)18-11-12-19-20(14-18)23-21(22-19)17-10-6-9-16(13-17)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H,22,23) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50365416
(CHEMBL1585484)Show SMILES Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C18H18ClN3O3S2/c19-14-3-1-2-13(10-14)12-26-18-20-16-5-4-15(11-17(16)21-18)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390214
(CHEMBL2070153)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1C)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)19-13-17(10-9-15(19)2)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390223
(CHEMBL2070142)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O2S/c1-2-8-25(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390212
(CHEMBL2070154)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(n1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)15-11-12-17-19(13-15)23-20(22-17)18-10-6-9-16(21-18)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,22,23) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390235
(CHEMBL2070162)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cn(ccc1=O)-c1ccccc1 Show InChI InChI=1S/C21H19N3O3S/c1-2-12-28(26,27)16-8-9-18-19(13-16)23-21(22-18)17-14-24(11-10-20(17)25)15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 579 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390239
(CHEMBL2070145)Show SMILES CCCS(=O)(=O)c1ccc2cc([nH]c2c1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C23H21NO2S/c1-2-13-27(25,26)21-12-11-20-15-22(24-23(20)16-21)19-10-6-9-18(14-19)17-7-4-3-5-8-17/h3-12,14-16,24H,2,13H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 609 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390238
(CHEMBL2070163)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccn(-c2ccccc2)c1=O Show InChI InChI=1S/C21H19N3O3S/c1-2-13-28(26,27)16-10-11-18-19(14-16)23-20(22-18)17-9-6-12-24(21(17)25)15-7-4-3-5-8-15/h3-12,14H,2,13H2,1H3,(H,22,23) | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390221
(CHEMBL2070146)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1F Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)15-11-12-18-19(13-15)24-21(23-18)17-10-6-9-16(20(17)22)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50365416
(CHEMBL1585484)Show SMILES Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C18H18ClN3O3S2/c19-14-3-1-2-13(10-14)12-26-18-20-16-5-4-15(11-17(16)21-18)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390234
(CHEMBL2070155)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-18(13-16)23-20(22-17)19-12-15(10-11-21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50365416
(CHEMBL1585484)Show SMILES Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1 Show InChI InChI=1S/C18H18ClN3O3S2/c19-14-3-1-2-13(10-14)12-26-18-20-16-5-4-15(11-17(16)21-18)27(23,24)22-6-8-25-9-7-22/h1-5,10-11H,6-9,12H2,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | 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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390220
(CHEMBL2070147)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1F)-c1ccccc1 Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)17-12-15(8-10-18(17)22)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50390224
(CHEMBL2070141)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-2-14-27(25,26)19-12-13-20-21(15-19)24-22(23-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,23,24) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50390216
(CHEMBL2070151)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)c(c1)-c1ccccc1 Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)15-8-10-18(22)17(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390225
(CHEMBL2070140)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-2-13-27(25,26)19-11-12-20-21(15-19)24-22(23-20)18-10-6-9-17(14-18)16-7-4-3-5-8-16/h3-12,14-15H,2,13H2,1H3,(H,23,24) | 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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50390224
(CHEMBL2070141)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-2-14-27(25,26)19-12-13-20-21(15-19)24-22(23-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,23,24) | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390227
(CHEMBL2070138)Show InChI InChI=1S/C16H16N2O2S/c1-2-10-21(19,20)13-8-9-14-15(11-13)18-16(17-14)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18) | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390218
(CHEMBL2070149)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)15-11-12-18-19(13-15)24-21(23-18)17-10-6-9-16(20(17)22)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390213
(CHEMBL2069316)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(C)c(c1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O2S/c1-3-27(25,26)18-11-12-20-21(14-18)24-22(23-20)17-10-9-15(2)19(13-17)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,24) | 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 | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390232
(CHEMBL2070157)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2S/c1-2-26(24,25)16-8-9-17-19(13-16)23-20(22-17)15-10-11-21-18(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23) | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390219
(CHEMBL2070148)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)c(c1)-c1ccccc1 Show InChI InChI=1S/C21H17FN2O2S/c1-2-27(25,26)16-9-11-19-20(13-16)24-21(23-19)15-8-10-18(22)17(12-15)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50390218
(CHEMBL2070149)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)15-11-12-18-19(13-15)24-21(23-18)17-10-6-9-16(20(17)22)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50390218
(CHEMBL2070149)Show SMILES CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl Show InChI InChI=1S/C21H17ClN2O2S/c1-2-27(25,26)15-11-12-18-19(13-15)24-21(23-18)17-10-6-9-16(20(17)22)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,23,24) | 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 | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
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