Found 104 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 |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310652
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310647
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r| Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310662
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310661
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1 | PDB
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310650
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | PDB
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310649
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310644
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310646
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15| Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310666
((S)-2-chloro-4-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50262411
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310646
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15| Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310653
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310651
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310647
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r| Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310644
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310664
((S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310667
((R)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310661
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1 | Reactome pathway
KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310665
((S)-2-chloro-3-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(17)14(12)16/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310660
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310658
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310663
((S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzami...)Show InChI InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310645
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310660
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1 | Reactome pathway
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310654
((S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r| Show InChI InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310654
((S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r| Show InChI InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1 | Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310652
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1 | Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310657
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310658
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1 | Reactome pathway
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310662
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | Reactome pathway
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310645
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1 | Reactome pathway
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310659
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310649
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1 | Reactome pathway
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | Reactome pathway
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Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310650
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50262411
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1 | Reactome pathway
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310648
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310655
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310665
((S)-2-chloro-3-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(17)14(12)16/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310664
((S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310659
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310651
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310663
((S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzami...)Show InChI InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310653
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310667
((R)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310648
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310657
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50310666
((S)-2-chloro-4-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310661
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 273 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310660
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 404 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310650
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310647
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r| Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310652
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 516 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 544 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310658
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50262411
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310646
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15| Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 945 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310644
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 983 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310657
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50310655
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310663
((S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzami...)Show InChI InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310664
((S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310651
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310665
((S)-2-chloro-3-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(17)14(12)16/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310662
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310648
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310666
((S)-2-chloro-4-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310653
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310645
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310649
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310667
((R)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310655
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50310659
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310651
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/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 | 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310660
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/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 | 7.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310645
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/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 | 7.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310647
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r| Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310654
((S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(tri...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r| Show InChI InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310649
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310653
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310659
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310644
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r| Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310655
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/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 | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310661
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/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 | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310650
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/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 | 1.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310658
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310648
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/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 | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310657
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50262411
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/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 | 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using felodipine as a substrate |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using testosterone as a substrate |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 using midazolam as a substrate |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50310656
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r| Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310646
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15| Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50310652
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/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 | 5.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 19: 5078-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V |
More data for this
Ligand-Target Pair | |
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