Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50039998 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 |
|---|
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
Reactome pathway
KEGG
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MCE
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| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50378584
(STEPHOLIDINE)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387558
(CHEMBL2057456)Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387557
(CHEMBL2057457 | US9359372, DC037031)Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C20H23NO2/c1-12-6-13(2)17-11-21-5-4-14-9-20(23-3)19(22)10-16(14)18(21)8-15(17)7-12/h6-7,9-10,18,22H,4-5,8,11H2,1-3H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387560
(CHEMBL2057451 | US9359372, DC037017)Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1OC |r| Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387559
(CHEMBL2057453)Show SMILES COc1ccc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2c1 |r| Show InChI InChI=1S/C19H21NO3/c1-22-15-4-3-13-11-20-6-5-12-9-19(23-2)18(21)10-16(12)17(20)8-14(13)7-15/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.27 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50378584
(STEPHOLIDINE)Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r| Show InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387557
(CHEMBL2057457 | US9359372, DC037031)Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C20H23NO2/c1-12-6-13(2)17-11-21-5-4-14-9-20(23-3)19(22)10-16(14)18(21)8-15(17)7-12/h6-7,9-10,18,22H,4-5,8,11H2,1-3H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387558
(CHEMBL2057456)Show SMILES COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O |r| Show InChI InChI=1S/C21H25NO5/c1-25-19-9-20(26-2)16(11-23)14-7-17-13-8-18(24)21(27-3)6-12(13)4-5-22(17)10-15(14)19/h6,8-9,17,23-24H,4-5,7,10-11H2,1-3H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 514 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387559
(CHEMBL2057453)Show SMILES COc1ccc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2c1 |r| Show InChI InChI=1S/C19H21NO3/c1-22-15-4-3-13-11-20-6-5-12-9-19(23-2)18(21)10-16(12)17(20)8-14(13)7-15/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 873 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50387560
(CHEMBL2057451 | US9359372, DC037017)Show SMILES COc1cc2CCN3Cc4c(C)cc(C)cc4C[C@H]3c2cc1OC |r| Show InChI InChI=1S/C21H25NO2/c1-13-7-14(2)18-12-22-6-5-15-10-20(23-3)21(24-4)11-17(15)19(22)9-16(18)8-13/h7-8,10-11,19H,5-6,9,12H2,1-4H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells |
Bioorg Med Chem 20: 4862-71 (2012)
Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9 |
More data for this
Ligand-Target Pair | |
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