Found 413 hits with Last Name = 'german' and Initial = 'n' 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50562115
(CHEMBL4744589)Show SMILES Fc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562114
(CHEMBL4793161)Show SMILES Fc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562120
(CHEMBL4752743)Show SMILES COc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562123
(CHEMBL4797981)Show SMILES Fc1ccc(cc1)N(CCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Nisoxetine from human NET expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562117
(CHEMBL4794169)Show SMILES Cc1ccc(NC(=O)NCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562118
(CHEMBL4740660)Show SMILES Cc1cc(Cl)ccc1NC(=O)NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human DAT expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50465907
(CHEMBL4282702)Show SMILES OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C23H26ClF4NO/c24-21-10-7-18(16-20(21)23(26,27)28)22(30)11-14-29(15-12-22)13-3-1-2-4-17-5-8-19(25)9-6-17/h5-10,16,30H,1-4,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562124
(CHEMBL4746100)Show SMILES Fc1ccc(cc1)C(CCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562121
(CHEMBL4751312)Show SMILES COc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O)c1ccc(OC)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50465912
(CHEMBL4287623)Show SMILES [#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H27ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h3-13,19,37H,1-2,14-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 317 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50465912
(CHEMBL4287623)Show SMILES [#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H27ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h3-13,19,37H,1-2,14-18H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]-Way100635 from human 5HT1A receptor expressed in stable CHO cell membranes by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 361 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50465911
(CHEMBL1644980)Show SMILES OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 385 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562125
(CHEMBL4747264)Show SMILES Fc1ccc(cc1)C(CCCCCNC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 399 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50026066
(1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(tr...)Show SMILES OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 401 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Rauwolscine from human alpha 2B adrenergic receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50465907
(CHEMBL4282702)Show SMILES OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C23H26ClF4NO/c24-21-10-7-18(16-20(21)23(26,27)28)22(30)11-14-29(15-12-22)13-3-1-2-4-17-5-8-19(25)9-6-17/h5-10,16,30H,1-4,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 401 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 402 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in HEK293FlpIN cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50562122
(CHEMBL4798801)Show SMILES Fc1ccc(cc1)N(CCCCNC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 405 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of DAT (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112866 BindingDB Entry DOI: 10.7270/Q2H41W51 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50465906
(CHEMBL4293307)Show SMILES COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1 Show InChI InChI=1S/C30H34ClF3N2O3/c1-38-25-10-6-23(7-11-25)36(24-8-12-26(39-2)13-9-24)18-4-3-17-35-19-15-29(37,16-20-35)22-5-14-28(31)27(21-22)30(32,33)34/h5-14,21,37H,3-4,15-20H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 423 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50465909
(CHEMBL1644978)Show SMILES OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29ClF5NO/c30-27-13-8-22(19-26(27)29(33,34)35)28(37)14-17-36(18-15-28)16-2-1-3-25(20-4-9-23(31)10-5-20)21-6-11-24(32)12-7-21/h4-13,19,25,37H,1-3,14-18H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 428 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]Citalopram from human SERT expressed in HEK cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50465906
(CHEMBL4293307)Show SMILES COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1 Show InChI InChI=1S/C30H34ClF3N2O3/c1-38-25-10-6-23(7-11-25)36(24-8-12-26(39-2)13-9-24)18-4-3-17-35-19-15-29(37,16-20-35)22-5-14-28(31)27(21-22)30(32,33)34/h5-14,21,37H,3-4,15-20H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50465908
(CHEMBL4291048)Show SMILES OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26ClF5N2O/c28-25-11-2-19(18-24(25)27(31,32)33)26(36)12-16-34(17-13-26)14-1-15-35(22-7-3-20(29)4-8-22)23-9-5-21(30)6-10-23/h2-11,18,36H,1,12-17H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay |
Bioorg Med Chem Lett 28: 3652-3657 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.036 BindingDB Entry DOI: 10.7270/Q280558N |
More data for this Ligand-Target Pair | |