Found 41 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 |
|---|
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT7 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic Alpha-1A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2B receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha-1b receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D4 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to beta-1 adrenergic receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D2 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT1A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D4 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to dopamine D1 receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT2A receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to beta2 adrenergic receptor |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50249488
(4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...)Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3 | PDB
KEGG
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PC cid
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PDB
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Patents
| PDB
Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323411
(1-((1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)me...)Show SMILES COc1cccc(c1)N1CCN(Cc2cnn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25FN4O/c1-17-18(15-24-27(17)20-8-6-19(23)7-9-20)16-25-10-12-26(13-11-25)21-4-3-5-22(14-21)28-2/h3-9,14-15H,10-13,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
KEGG
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323406
(1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)met...)Show SMILES Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C21H22ClFN4/c1-16-20(21(22)27(24-16)19-5-3-2-4-6-19)15-25-11-13-26(14-12-25)18-9-7-17(23)8-10-18/h2-10H,11-15H2,1H3 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323405
(1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...)Show SMILES COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50249488
(4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl...)Show SMILES Cc1nn(c(C)c1C=NN1CCN(Cc2ccccc2)CC1)-c1ccccc1 |w:7.7| Show InChI InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
KEGG
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323411
(1-((1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)me...)Show SMILES COc1cccc(c1)N1CCN(Cc2cnn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H25FN4O/c1-17-18(15-24-27(17)20-8-6-19(23)7-9-20)16-25-10-12-26(13-11-25)21-4-3-5-22(14-21)28-2/h3-9,14-15H,10-13,16H2,1-2H3 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50184796
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3 | PDB
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| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50184796
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-ph...)Show InChI InChI=1S/C21H24N4/c1-18-19(16-22-25(18)21-10-6-3-7-11-21)17-23-12-14-24(15-13-23)20-8-4-2-5-9-20/h2-11,16H,12-15,17H2,1H3 | PDB
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| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323410
(1-(4-methoxyphenyl)-4-((5-methyl-1-phenyl-1H-pyraz...)Show InChI InChI=1S/C22H26N4O/c1-18-19(16-23-26(18)21-6-4-3-5-7-21)17-24-12-14-25(15-13-24)20-8-10-22(27-2)11-9-20/h3-11,16H,12-15,17H2,1-2H3 | PDB
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323401
(4-((3-(2-fluoro-6-methoxyphenoxy)azetidin-1-yl)met...)Show InChI InChI=1S/C21H22FN3O2/c1-15-16(11-23-25(15)17-7-4-3-5-8-17)12-24-13-18(14-24)27-21-19(22)9-6-10-20(21)26-2/h3-11,18H,12-14H2,1-2H3 | PDB
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| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323410
(1-(4-methoxyphenyl)-4-((5-methyl-1-phenyl-1H-pyraz...)Show InChI InChI=1S/C22H26N4O/c1-18-19(16-23-26(18)21-6-4-3-5-7-21)17-24-12-14-25(15-13-24)20-8-10-22(27-2)11-9-20/h3-11,16H,12-15,17H2,1-2H3 | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323402
(4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...)Show SMILES COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1 Show InChI InChI=1S/C23H26FN3O2/c1-16-18(13-25-27(16)22-7-5-4-6-21(22)24)15-26-11-10-17(14-26)20-12-19(28-2)8-9-23(20)29-3/h4-9,12-13,17H,10-11,14-15H2,1-3H3 | PDB
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| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323409
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(3...)Show SMILES Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cnn1-c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c1-17-18(15-26-29(17)20-7-3-2-4-8-20)16-27-10-12-28(13-11-27)21-9-5-6-19(14-21)22(23,24)25/h2-9,14-15H,10-13,16H2,1H3 | PDB
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| n/a | n/a | 328 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323409
(1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(3...)Show SMILES Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cnn1-c1ccccc1 Show InChI InChI=1S/C22H23F3N4/c1-17-18(15-26-29(17)20-7-3-2-4-8-20)16-27-10-12-28(13-11-27)21-9-5-6-19(14-21)22(23,24)25/h2-9,14-15H,10-13,16H2,1H3 | PDB
KEGG
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| n/a | n/a | 333 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323405
(1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...)Show SMILES COc1cccc(c1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)20-9-7-19(24)8-10-20)16-26-11-13-27(14-12-26)21-5-4-6-22(15-21)29-3/h4-10,15H,11-14,16H2,1-3H3 | PDB
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| n/a | n/a | 823 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323404
(1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...)Show SMILES COc1ccc(cc1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)21-6-4-19(24)5-7-21)16-26-12-14-27(15-13-26)20-8-10-22(29-3)11-9-20/h4-11H,12-16H2,1-3H3 | PDB
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PubMed
| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323406
(1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)met...)Show SMILES Cc1nn(c(Cl)c1CN1CCN(CC1)c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C21H22ClFN4/c1-16-20(21(22)27(24-16)19-5-3-2-4-6-19)15-25-11-13-26(14-12-25)18-9-7-17(23)8-10-18/h2-10H,11-15H2,1H3 | PDB
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PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323403
(1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)-...)Show SMILES COc1ccccc1N1CCN(Cc2c(C)nn(c2C)-c2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O/c1-18-21(19(2)27(24-18)20-9-5-4-6-10-20)17-25-13-15-26(16-14-25)22-11-7-8-12-23(22)28-3/h4-12H,13-17H2,1-3H3 | PDB
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323404
(1-((1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-y...)Show SMILES COc1ccc(cc1)N1CCN(Cc2c(C)nn(c2C)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN4O/c1-17-23(18(2)28(25-17)21-6-4-19(24)5-7-21)16-26-12-14-27(15-13-26)20-8-10-22(29-3)11-9-20/h4-11H,12-16H2,1-3H3 | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323407
(1-(4-methoxyphenyl)-4-((3-methyl-1-phenyl-1H-pyraz...)Show InChI InChI=1S/C22H26N4O/c1-18-19(17-26(23-18)21-6-4-3-5-7-21)16-24-12-14-25(15-13-24)20-8-10-22(27-2)11-9-20/h3-11,17H,12-16H2,1-2H3 | PDB
KEGG
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PC sid
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PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323403
(1-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)-...)Show SMILES COc1ccccc1N1CCN(Cc2c(C)nn(c2C)-c2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O/c1-18-21(19(2)27(24-18)20-9-5-4-6-10-20)17-25-13-15-26(16-14-25)22-11-7-8-12-23(22)28-3/h4-12H,13-17H2,1-3H3 | PDB
KEGG
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PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323407
(1-(4-methoxyphenyl)-4-((3-methyl-1-phenyl-1H-pyraz...)Show InChI InChI=1S/C22H26N4O/c1-18-19(17-26(23-18)21-6-4-3-5-7-21)16-24-12-14-25(15-13-24)20-8-10-22(27-2)11-9-20/h3-11,17H,12-16H2,1-2H3 | PDB
KEGG
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Similars
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PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323408
(1-(4-fluorophenyl)-4-((3-methyl-1-phenyl-1H-pyrazo...)Show InChI InChI=1S/C21H23FN4/c1-17-18(16-26(23-17)21-5-3-2-4-6-21)15-24-11-13-25(14-12-24)20-9-7-19(22)8-10-20/h2-10,16H,11-15H2,1H3 | PDB
KEGG
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PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50323408
(1-(4-fluorophenyl)-4-((3-methyl-1-phenyl-1H-pyrazo...)Show InChI InChI=1S/C21H23FN4/c1-17-18(16-26(23-17)21-5-3-2-4-6-21)15-24-11-13-25(14-12-24)20-9-7-19(22)8-10-20/h2-10,16H,11-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Smoothened transfected in HEK293 cells by binding assay |
Bioorg Med Chem Lett 20: 4932-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.033
BindingDB Entry DOI: 10.7270/Q22V2G9F |
More data for this
Ligand-Target Pair | |
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