Found 59 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 |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382046
(CHEMBL2022737)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1 Show InChI InChI=1S/C24H27ClFN5O2/c25-20-16-17(28-22(32)19-8-2-3-9-21(19)26)10-11-18(20)23-29-30-24(33-23)27-12-4-7-15-31-13-5-1-6-14-31/h2-3,8-11,16H,1,4-7,12-15H2,(H,27,30)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50381980
(CHEMBL2022495)Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O3/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Acetylcholine receptor subunit alpha
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha1 nAChR |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382039
(CHEMBL2022504)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2C[C@@H]3CC[C@H]2C3)o1 |r| Show InChI InChI=1S/C24H26FN5O2/c25-21-5-2-1-4-20(21)22(31)27-18-9-7-17(8-10-18)23-28-29-24(32-23)26-12-3-13-30-15-16-6-11-19(30)14-16/h1-2,4-5,7-10,16,19H,3,6,11-15H2,(H,26,29)(H,27,31)/t16-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at alpha4beta2 nAChR |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382051
(CHEMBL2022500)Show SMILES C[C@@H]1CC[C@@H](C)N1CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1 |r| Show InChI InChI=1S/C24H28FN5O2/c1-16-8-9-17(2)30(16)15-5-14-26-24-29-28-23(32-24)18-10-12-19(13-11-18)27-22(31)20-6-3-4-7-21(20)25/h3-4,6-7,10-13,16-17H,5,8-9,14-15H2,1-2H3,(H,26,29)(H,27,31)/t16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50381966
(CHEMBL2022499)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCC2)o1 Show InChI InChI=1S/C22H24FN5O2/c23-19-7-2-1-6-18(19)20(29)25-17-10-8-16(9-11-17)21-26-27-22(30-21)24-12-5-15-28-13-3-4-14-28/h1-2,6-11H,3-5,12-15H2,(H,24,27)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50381967
(CHEMBL2022496)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1 Show InChI InChI=1S/C23H26FN5O2/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382038
(CHEMBL2022503)Show SMILES FC1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1 Show InChI InChI=1S/C23H25F2N5O2/c24-17-10-14-30(15-11-17)13-3-12-26-23-29-28-22(32-23)16-6-8-18(9-7-16)27-21(31)19-4-1-2-5-20(19)25/h1-2,4-9,17H,3,10-15H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382052
(CHEMBL2022731)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1 Show InChI InChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382043
(CHEMBL2022733)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O2/c25-21-9-3-2-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-4-7-17-30-15-5-1-6-16-30/h2-3,8-13H,1,4-7,14-17H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382040
(CHEMBL2021936)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1 |(-15.54,4.95,;-16.86,4.18,;-18.21,4.95,;-19.53,4.18,;-19.54,2.64,;-18.19,1.87,;-16.87,2.64,;-15.55,1.87,;-15.55,.33,;-14.2,2.64,;-12.88,1.87,;-12.88,.33,;-11.55,-.44,;-10.2,.33,;-10.2,1.88,;-11.55,2.65,;-8.87,-.43,;-8.85,-1.97,;-7.37,-2.43,;-6.49,-1.17,;-4.95,-1.14,;-4.2,.21,;-2.66,.23,;-1.91,1.58,;-.37,1.6,;.26,2.99,;1.7,3.41,;2.99,2.48,;3.04,.93,;1.85,-.05,;.28,.29,;.68,1.78,;1.98,1.28,;-7.41,.07,)| Show InChI InChI=1S/C25H29FN6O2/c26-22-5-2-1-4-21(22)23(33)28-19-8-6-18(7-9-19)24-29-30-25(34-24)27-12-3-13-32-17-16-31-14-10-20(32)11-15-31/h1-2,4-9,20H,3,10-17H2,(H,27,30)(H,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382041
(CHEMBL2022730)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1 Show InChI InChI=1S/C24H28FN5O3/c25-21-7-2-1-6-20(21)22(31)27-19-10-8-18(9-11-19)23-28-29-24(33-23)26-12-3-4-13-30-14-5-16-32-17-15-30/h1-2,6-11H,3-5,12-17H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382043
(CHEMBL2022733)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O2/c25-21-9-3-2-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-4-7-17-30-15-5-1-6-16-30/h2-3,8-13H,1,4-7,14-17H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382054
(CHEMBL2022740)Show SMILES Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-16-18(26-21(30)17-6-2-1-3-7-17)8-9-19(20)22-27-28-23(32-22)25-10-4-5-11-29-12-14-31-15-13-29/h1-3,6-9,16H,4-5,10-15H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382049
(CHEMBL2022741)Show SMILES FC1CCN(CCCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1 Show InChI InChI=1S/C24H27F2N5O2/c25-18-11-15-31(16-12-18)14-4-3-13-27-24-30-29-23(33-24)17-7-9-19(10-8-17)28-22(32)20-5-1-2-6-21(20)26/h1-2,5-10,18H,3-4,11-16H2,(H,27,30)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382045
(CHEMBL2022736)Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C25H30FN5O3/c1-33-22-17-18(28-23(32)19-9-3-4-10-21(19)26)11-12-20(22)24-29-30-25(34-24)27-13-5-8-16-31-14-6-2-7-15-31/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,27,30)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50381980
(CHEMBL2022495)Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O3/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by electrophysiology assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382035
(CHEMBL2022498)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-12-29-13-4-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382044
(CHEMBL2022734)Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1 Show InChI InChI=1S/C24H29N5O2/c30-22(19-9-3-1-4-10-19)26-21-13-11-20(12-14-21)23-27-28-24(31-23)25-15-5-8-18-29-16-6-2-7-17-29/h1,3-4,9-14H,2,5-8,15-18H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382042
(CHEMBL2022732)Show SMILES CCN(CC)CCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C23H28FN5O2/c1-3-29(4-2)16-8-7-15-25-23-28-27-22(31-23)17-11-13-18(14-12-17)26-21(30)19-9-5-6-10-20(19)24/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382053
(CHEMBL2022735)Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)C1CCCCC1 Show InChI InChI=1S/C24H35N5O2/c30-22(19-9-3-1-4-10-19)26-21-13-11-20(12-14-21)23-27-28-24(31-23)25-15-5-8-18-29-16-6-2-7-17-29/h11-14,19H,1-10,15-18H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382050
(CHEMBL2022729)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-4-12-29-13-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | 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 | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50381969
(CHEMBL2022497)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCOCC2)o1 Show InChI InChI=1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | 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 | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | 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 | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382036
(CHEMBL2022501)Show SMILES CN1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1 Show InChI InChI=1S/C23H27FN6O2/c1-29-13-15-30(16-14-29)12-4-11-25-23-28-27-22(32-23)17-7-9-18(10-8-17)26-21(31)19-5-2-3-6-20(19)24/h2-3,5-10H,4,11-16H2,1H3,(H,25,28)(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382037
(CHEMBL2022502)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCC(F)(F)CC2)o1 Show InChI InChI=1S/C23H24F3N5O2/c24-19-5-2-1-4-18(19)20(32)28-17-8-6-16(7-9-17)21-29-30-22(33-21)27-12-3-13-31-14-10-23(25,26)11-15-31/h1-2,4-9H,3,10-15H2,(H,27,30)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382050
(CHEMBL2022729)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-4-12-29-13-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382047
(CHEMBL2022738)Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C24H28FN5O4/c1-32-21-16-17(27-22(31)18-6-2-3-7-20(18)25)8-9-19(21)23-28-29-24(34-23)26-10-4-5-11-30-12-14-33-15-13-30/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | 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 | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
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PC cid
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UniChem
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
MMDB
Reactome pathway
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UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using diethoxyfluorescein as substrate |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382035
(CHEMBL2022498)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-12-29-13-4-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50381966
(CHEMBL2022499)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCC2)o1 Show InChI InChI=1S/C22H24FN5O2/c23-19-7-2-1-6-18(19)20(29)25-17-10-8-16(9-11-17)21-26-27-22(30-21)24-12-5-15-28-13-3-4-14-28/h1-2,6-11H,3-5,12-15H2,(H,24,27)(H,25,29) | PDB
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| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382045
(CHEMBL2022736)Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C25H30FN5O3/c1-33-22-17-18(28-23(32)19-9-3-4-10-21(19)26)11-12-20(22)24-29-30-25(34-24)27-13-5-8-16-31-14-6-2-7-15-31/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,27,30)(H,28,32) | PDB
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| n/a | n/a | n/a | n/a | 19.9 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382042
(CHEMBL2022732)Show SMILES CCN(CC)CCCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C23H28FN5O2/c1-3-29(4-2)16-8-7-15-25-23-28-27-22(31-23)17-11-13-18(14-12-17)26-21(30)19-9-5-6-10-20(19)24/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,25,28)(H,26,30) | PDB
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| n/a | n/a | n/a | n/a | 63.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382038
(CHEMBL2022503)Show SMILES FC1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1 Show InChI InChI=1S/C23H25F2N5O2/c24-17-10-14-30(15-11-17)13-3-12-26-23-29-28-22(32-23)16-6-8-18(9-7-16)27-21(31)19-4-1-2-5-20(19)25/h1-2,4-9,17H,3,10-15H2,(H,26,29)(H,27,31) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382047
(CHEMBL2022738)Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C24H28FN5O4/c1-32-21-16-17(27-22(31)18-6-2-3-7-20(18)25)8-9-19(21)23-28-29-24(34-23)26-10-4-5-11-30-12-14-33-15-13-30/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,26,29)(H,27,31) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 63.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382039
(CHEMBL2022504)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2C[C@@H]3CC[C@H]2C3)o1 |r| Show InChI InChI=1S/C24H26FN5O2/c25-21-5-2-1-4-20(21)22(31)27-18-9-7-17(8-10-18)23-28-29-24(32-23)26-12-3-13-30-15-16-6-11-19(30)14-16/h1-2,4-5,7-10,16,19H,3,6,11-15H2,(H,26,29)(H,27,31)/t16-,19+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 63.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382046
(CHEMBL2022737)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCCCC3)o2)c(Cl)c1 Show InChI InChI=1S/C24H27ClFN5O2/c25-20-16-17(28-22(32)19-8-2-3-9-21(19)26)10-11-18(20)23-29-30-24(33-23)27-12-4-7-15-31-13-5-1-6-14-31/h2-3,8-11,16H,1,4-7,12-15H2,(H,27,30)(H,28,32) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 39.8 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382041
(CHEMBL2022730)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1 Show InChI InChI=1S/C24H28FN5O3/c25-21-7-2-1-6-20(21)22(31)27-19-10-8-18(9-11-19)23-28-29-24(33-23)26-12-3-4-13-30-14-5-16-32-17-15-30/h1-2,6-11H,3-5,12-17H2,(H,26,29)(H,27,31) | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 50.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382050
(CHEMBL2022729)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-4-12-29-13-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50381967
(CHEMBL2022496)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCCC2)o1 Show InChI InChI=1S/C23H26FN5O2/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30) | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 63.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382051
(CHEMBL2022500)Show SMILES C[C@@H]1CC[C@@H](C)N1CCCNc1nnc(o1)-c1ccc(NC(=O)c2ccccc2F)cc1 |r| Show InChI InChI=1S/C24H28FN5O2/c1-16-8-9-17(2)30(16)15-5-14-26-24-29-28-23(32-24)18-10-12-19(13-11-18)27-22(31)20-6-3-4-7-21(20)25/h3-4,6-7,10-13,16-17H,5,8-9,14-15H2,1-2H3,(H,26,29)(H,27,31)/t16-,17-/m1/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382054
(CHEMBL2022740)Show SMILES Fc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(NCCCCN2CCOCC2)o1 Show InChI InChI=1S/C23H26FN5O3/c24-20-16-18(26-21(30)17-6-2-1-3-7-17)8-9-19(20)22-27-28-23(32-22)25-10-4-5-11-29-12-14-31-15-13-29/h1-3,6-9,16H,4-5,10-15H2,(H,25,28)(H,26,30) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382049
(CHEMBL2022741)Show SMILES FC1CCN(CCCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1 Show InChI InChI=1S/C24H27F2N5O2/c25-18-11-15-31(16-12-18)14-4-3-13-27-24-30-29-23(33-24)17-7-9-19(10-8-17)28-22(32)20-5-1-2-6-21(20)26/h1-2,5-10,18H,3-4,11-16H2,(H,27,30)(H,28,32) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79.4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382053
(CHEMBL2022735)Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)C1CCCCC1 Show InChI InChI=1S/C24H35N5O2/c30-22(19-9-3-1-4-10-19)26-21-13-11-20(12-14-21)23-27-28-24(31-23)25-15-5-8-18-29-16-6-2-7-17-29/h11-14,19H,1-10,15-18H2,(H,25,28)(H,26,30) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382052
(CHEMBL2022731)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCC2)o1 Show InChI InChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15.8 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382037
(CHEMBL2022502)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCC(F)(F)CC2)o1 Show InChI InChI=1S/C23H24F3N5O2/c24-19-5-2-1-4-18(19)20(32)28-17-8-6-16(7-9-17)21-29-30-22(33-21)27-12-3-13-31-14-10-23(25,26)11-15-31/h1-2,4-9H,3,10-15H2,(H,27,30)(H,28,32) | PDB
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UniChem
Similars
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| n/a | n/a | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382040
(CHEMBL2021936)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1 |(-15.54,4.95,;-16.86,4.18,;-18.21,4.95,;-19.53,4.18,;-19.54,2.64,;-18.19,1.87,;-16.87,2.64,;-15.55,1.87,;-15.55,.33,;-14.2,2.64,;-12.88,1.87,;-12.88,.33,;-11.55,-.44,;-10.2,.33,;-10.2,1.88,;-11.55,2.65,;-8.87,-.43,;-8.85,-1.97,;-7.37,-2.43,;-6.49,-1.17,;-4.95,-1.14,;-4.2,.21,;-2.66,.23,;-1.91,1.58,;-.37,1.6,;.26,2.99,;1.7,3.41,;2.99,2.48,;3.04,.93,;1.85,-.05,;.28,.29,;.68,1.78,;1.98,1.28,;-7.41,.07,)| Show InChI InChI=1S/C25H29FN6O2/c26-22-5-2-1-4-21(22)23(33)28-19-8-6-18(7-9-19)24-29-30-25(34-24)27-12-3-13-32-17-16-31-14-10-20(32)11-15-31/h1-2,4-9,20H,3,10-17H2,(H,27,30)(H,28,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15.8 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382048
(CHEMBL2022739)Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382044
(CHEMBL2022734)Show SMILES O=C(Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1)c1ccccc1 Show InChI InChI=1S/C24H29N5O2/c30-22(19-9-3-1-4-10-19)26-21-13-11-20(12-14-21)23-27-28-24(31-23)25-15-5-8-18-29-16-6-2-7-17-29/h1,3-4,9-14H,2,5-8,15-18H2,(H,25,28)(H,26,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382043
(CHEMBL2022733)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O2/c25-21-9-3-2-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-4-7-17-30-15-5-1-6-16-30/h2-3,8-13H,1,4-7,14-17H2,(H,26,29)(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50381969
(CHEMBL2022497)Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCOCC2)o1 Show InChI InChI=1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50382036
(CHEMBL2022501)Show SMILES CN1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1 Show InChI InChI=1S/C23H27FN6O2/c1-29-13-15-30(16-14-29)12-4-11-25-23-28-27-22(32-23)17-7-9-18(10-8-17)26-21(31)19-5-2-3-6-20(19)24/h2-3,5-10H,4,11-16H2,1H3,(H,25,28)(H,26,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay |
Bioorg Med Chem Lett 22: 3531-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.062
BindingDB Entry DOI: 10.7270/Q2SB46SH |
More data for this
Ligand-Target Pair | |
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