Found 10 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 |
|---|
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50231893
(2-(4-carboxybutyl)-3-(hydroxymethyl)-5-methyl-1-ph...)Show SMILES Cc1cc2c(CO)c(CCCCC(O)=O)n(CCc3ccccc3)c2cc1C(O)=O Show InChI InChI=1S/C24H27NO5/c1-16-13-19-20(15-26)21(9-5-6-10-23(27)28)25(22(19)14-18(16)24(29)30)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-14,26H,5-6,9-12,15H2,1H3,(H,27,28)(H,29,30) | 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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50231891
(2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole...)Show SMILES CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4| Show InChI InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50231893
(2-(4-carboxybutyl)-3-(hydroxymethyl)-5-methyl-1-ph...)Show SMILES Cc1cc2c(CO)c(CCCCC(O)=O)n(CCc3ccccc3)c2cc1C(O)=O Show InChI InChI=1S/C24H27NO5/c1-16-13-19-20(15-26)21(9-5-6-10-23(27)28)25(22(19)14-18(16)24(29)30)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-14,26H,5-6,9-12,15H2,1H3,(H,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50231889
(3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-1H...)Show SMILES CCCCCc1c(CO)c2cc(C)c(cc2n1CCc1ccccc1)C(O)=O Show InChI InChI=1S/C24H29NO3/c1-3-4-6-11-22-21(16-26)20-14-17(2)19(24(27)28)15-23(20)25(22)13-12-18-9-7-5-8-10-18/h5,7-10,14-15,26H,3-4,6,11-13,16H2,1-2H3,(H,27,28) | 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 | 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50231892
(2-(4-carboxy-1-hydroxybutyl)-6-methyl-3-phenethyl-...)Show SMILES Cc1cc2[nH]c(C(O)CCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O |w:6.6| Show InChI InChI=1S/C23H25NO5/c1-14-12-19-18(13-17(14)23(28)29)16(11-10-15-6-3-2-4-7-15)22(24-19)20(25)8-5-9-21(26)27/h2-4,6-7,12-13,20,24-25H,5,8-11H2,1H3,(H,26,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50231889
(3-(hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-1H...)Show SMILES CCCCCc1c(CO)c2cc(C)c(cc2n1CCc1ccccc1)C(O)=O Show InChI InChI=1S/C24H29NO3/c1-3-4-6-11-22-21(16-26)20-14-17(2)19(24(27)28)15-23(20)25(22)13-12-18-9-7-5-8-10-18/h5,7-10,14-15,26H,3-4,6,11-13,16H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50231890
(2-((2-carboxyethyl)carbamoyl)-6-methyl-3-phenethyl...)Show SMILES Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O Show InChI InChI=1S/C22H22N2O5/c1-13-11-18-17(12-16(13)22(28)29)15(8-7-14-5-3-2-4-6-14)20(24-18)21(27)23-10-9-19(25)26/h2-6,11-12,24H,7-10H2,1H3,(H,23,27)(H,25,26)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human CFTR PDZ2 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50231892
(2-(4-carboxy-1-hydroxybutyl)-6-methyl-3-phenethyl-...)Show SMILES Cc1cc2[nH]c(C(O)CCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O |w:6.6| Show InChI InChI=1S/C23H25NO5/c1-14-12-19-18(13-17(14)23(28)29)16(11-10-15-6-3-2-4-7-15)22(24-19)20(25)8-5-9-21(26)27/h2-4,6-7,12-13,20,24-25H,5,8-11H2,1H3,(H,26,27)(H,28,29) | 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 | 7.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50231890
(2-((2-carboxyethyl)carbamoyl)-6-methyl-3-phenethyl...)Show SMILES Cc1cc2[nH]c(C(=O)NCCC(O)=O)c(CCc3ccccc3)c2cc1C(O)=O Show InChI InChI=1S/C22H22N2O5/c1-13-11-18-17(12-16(13)22(28)29)15(8-7-14-5-3-2-4-6-14)20(24-18)21(27)23-10-9-19(25)26/h2-6,11-12,24H,7-10H2,1H3,(H,23,27)(H,25,26)(H,28,29) | 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 | 8.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50231891
(2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole...)Show SMILES CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4| Show InChI InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27) | 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 | 1.54E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description
Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain |
Bioorg Med Chem Lett 18: 942-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.038
BindingDB Entry DOI: 10.7270/Q2DJ5FC2 |
More data for this
Ligand-Target Pair | |
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