Found 111 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 |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316938
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316936
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361001
(CHEMBL1935438)Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360999
(CHEMBL1935436)Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361004
(CHEMBL1935441)Show SMILES Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361000
(CHEMBL1935437)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C19H20FN3/c20-16-9-7-14(8-10-16)13-23-18-6-2-1-5-17(18)22-19(23)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-13H2/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50297861
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)Show SMILES CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4O/c1-29(18-21-12-16-32-17-13-21)23-10-14-30(15-11-23)26-28-24-4-2-3-5-25(24)31(26)19-20-6-8-22(27)9-7-20/h2-9,21,23H,10-19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360996
(CHEMBL1935433)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCCCC3)C2)cc1 Show InChI InChI=1S/C26H31FN4O/c27-22-12-10-20(11-13-22)17-31-24-9-3-2-8-23(24)28-26(31)21-7-6-14-29(18-21)19-25(32)30-15-4-1-5-16-30/h2-3,8-13,21H,1,4-7,14-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360995
(CHEMBL1935432)Show SMILES CCN(CC)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C25H31FN4O/c1-3-29(4-2)24(31)18-28-15-7-8-20(17-28)25-27-22-9-5-6-10-23(22)30(25)16-19-11-13-21(26)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50297850
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50360997
(CHEMBL1935434)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCOCC3)C2)cc1 Show InChI InChI=1S/C25H29FN4O2/c26-21-9-7-19(8-10-21)16-30-23-6-2-1-5-22(23)27-25(30)20-4-3-11-28(17-20)18-24(31)29-12-14-32-15-13-29/h1-2,5-10,20H,3-4,11-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361002
(CHEMBL1935440)Show SMILES C(Cn1c(nc2ccccc12)C1CCCN(Cc2ncco2)C1)Oc1ccccc1 Show InChI InChI=1S/C24H26N4O2/c1-2-8-20(9-3-1)29-16-14-28-22-11-5-4-10-21(22)26-24(28)19-7-6-13-27(17-19)18-23-25-12-15-30-23/h1-5,8-12,15,19H,6-7,13-14,16-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 24.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50316936
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Antagonist activity at histamine H1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361001
(CHEMBL1935438)Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361000
(CHEMBL1935437)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C19H20FN3/c20-16-9-7-14(8-10-16)13-23-18-6-2-1-5-17(18)22-19(23)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-13H2/t15-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50316938
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360997
(CHEMBL1935434)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCOCC3)C2)cc1 Show InChI InChI=1S/C25H29FN4O2/c26-21-9-7-19(8-10-21)16-30-23-6-2-1-5-22(23)27-25(30)20-4-3-11-28(17-20)18-24(31)29-12-14-32-15-13-29/h1-2,5-10,20H,3-4,11-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360999
(CHEMBL1935436)Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360996
(CHEMBL1935433)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCCCC3)C2)cc1 Show InChI InChI=1S/C26H31FN4O/c27-22-12-10-20(11-13-22)17-31-24-9-3-2-8-23(24)28-26(31)21-7-6-14-29(18-21)19-25(32)30-15-4-1-5-16-30/h2-3,8-13,21H,1,4-7,14-19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361001
(CHEMBL1935438)Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361002
(CHEMBL1935440)Show SMILES C(Cn1c(nc2ccccc12)C1CCCN(Cc2ncco2)C1)Oc1ccccc1 Show InChI InChI=1S/C24H26N4O2/c1-2-8-20(9-3-1)29-16-14-28-22-11-5-4-10-21(22)26-24(28)19-7-6-13-27(17-19)18-23-25-12-15-30-23/h1-5,8-12,15,19H,6-7,13-14,16-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50360995
(CHEMBL1935432)Show SMILES CCN(CC)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C25H31FN4O/c1-3-29(4-2)24(31)18-28-15-7-8-20(17-28)25-27-22-9-5-6-10-23(22)30(25)16-19-11-13-21(26)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50316936
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361000
(CHEMBL1935437)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r| Show InChI InChI=1S/C19H20FN3/c20-16-9-7-14(8-10-16)13-23-18-6-2-1-5-17(18)22-19(23)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-13H2/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50316938
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]dofetolide from human Erg |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50297850
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of muscarinic M1 receptor |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50297861
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)Show SMILES CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4O/c1-29(18-21-12-16-32-17-13-21)23-10-14-30(15-11-23)26-28-24-4-2-3-5-25(24)31(26)19-20-6-8-22(27)9-7-20/h2-9,21,23H,10-19H2,1H3 | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | 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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50297850
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 809 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | 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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360996
(CHEMBL1935433)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCCCC3)C2)cc1 Show InChI InChI=1S/C26H31FN4O/c27-22-12-10-20(11-13-22)17-31-24-9-3-2-8-23(24)28-26(31)21-7-6-14-29(18-21)19-25(32)30-15-4-1-5-16-30/h2-3,8-13,21H,1,4-7,14-19H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360995
(CHEMBL1935432)Show SMILES CCN(CC)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C25H31FN4O/c1-3-29(4-2)24(31)18-28-15-7-8-20(17-28)25-27-22-9-5-6-10-23(22)30(25)16-19-11-13-21(26)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361004
(CHEMBL1935441)Show SMILES Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | 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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50316938
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | 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 | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of human Erg by whole cell patch clamp electrophysiology |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360999
(CHEMBL1935436)Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | 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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | 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 | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361006
(CHEMBL1935443)Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50316940
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1 | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50297850
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297850
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | 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 | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | 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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361007
(CHEMBL1935444)Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3 | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361003
(CHEMBL1935439)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360994
(CHEMBL1935431)Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | 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 | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361009
(CHEMBL1935447)Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | 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 | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | 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 | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361008
(CHEMBL1935446)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r| Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | 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 | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361002
(CHEMBL1935440)Show SMILES C(Cn1c(nc2ccccc12)C1CCCN(Cc2ncco2)C1)Oc1ccccc1 Show InChI InChI=1S/C24H26N4O2/c1-2-8-20(9-3-1)29-16-14-28-22-11-5-4-10-21(22)26-24(28)19-7-6-13-27(17-19)18-23-25-12-15-30-23/h1-5,8-12,15,19H,6-7,13-14,16-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360998
(CHEMBL1935435)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1 Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50361004
(CHEMBL1935441)Show SMILES Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360997
(CHEMBL1935434)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCOCC3)C2)cc1 Show InChI InChI=1S/C25H29FN4O2/c26-21-9-7-19(8-10-21)16-30-23-6-2-1-5-22(23)27-25(30)20-4-3-11-28(17-20)18-24(31)29-12-14-32-15-13-29/h1-2,5-10,20H,3-4,11-18H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361005
(CHEMBL1935442)Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50361004
(CHEMBL1935441)Show SMILES Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r| Show InChI InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 421-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS |
More data for this
Ligand-Target Pair | |
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