Found 580 hits with Last Name = 'lewis' and Initial = 'mc' 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)) | BDBM457887
(US10752588, Compound 114a)Show SMILES Clc1ccc(cc1)[C@@H](NCC1CCN(CCOc2ccccc2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C26H30ClN3O/c27-23-11-9-22(10-12-23)26(25-8-4-5-15-28-25)29-20-21-13-16-30(17-14-21)18-19-31-24-6-2-1-3-7-24/h1-12,15,21,26,29H,13-14,16-20H2/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457894
(US10752588, Compound 6)Show SMILES FC(F)(F)c1ccccc1OCCN1CCC(CC1)C(=O)NC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C27H27ClF3N3O2/c28-21-10-8-19(9-11-21)25(23-6-3-4-14-32-23)33-26(35)20-12-15-34(16-13-20)17-18-36-24-7-2-1-5-22(24)27(29,30)31/h1-11,14,20,25H,12-13,15-18H2,(H,33,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457885
(US10752588, Compound 79b)Show SMILES CN(CC1CCN(CCOc2ccccc2)CC1)[C@H](c1ccc(Cl)cc1)c1ccccn1 |r| Show InChI InChI=1S/C27H32ClN3O/c1-30(27(26-9-5-6-16-29-26)23-10-12-24(28)13-11-23)21-22-14-17-31(18-15-22)19-20-32-25-7-3-2-4-8-25/h2-13,16,22,27H,14-15,17-21H2,1H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457884
(US10752588, Compound 79)Show SMILES CN(CC1CCN(CCOc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C27H32ClN3O/c1-30(27(26-9-5-6-16-29-26)23-10-12-24(28)13-11-23)21-22-14-17-31(18-15-22)19-20-32-25-7-3-2-4-8-25/h2-13,16,22,27H,14-15,17-21H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457883
(US10752588, Compound 42)Show SMILES Fc1ccc(cc1)C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28ClFN2O2/c28-23-10-6-20(7-11-23)26(21-8-12-24(29)13-9-21)30-27(32)22-14-16-31(17-15-22)18-19-33-25-4-2-1-3-5-25/h1-13,22,26H,14-19H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457881
(US10752588, Compound 94b)Show SMILES Fc1ccccc1OCCN1CCC(CC1)C(=O)N[C@H](c1ccc2OC(F)(F)Oc2c1)c1ccccn1 |r| Show InChI InChI=1S/C27H26F3N3O4/c28-20-5-1-2-7-22(20)35-16-15-33-13-10-18(11-14-33)26(34)32-25(21-6-3-4-12-31-21)19-8-9-23-24(17-19)37-27(29,30)36-23/h1-9,12,17-18,25H,10-11,13-16H2,(H,32,34)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457880
(US10752588, Compound 94a)Show SMILES Fc1ccccc1OCCN1CCC(CC1)C(=O)N[C@@H](c1ccc2OC(F)(F)Oc2c1)c1ccccn1 |r| Show InChI InChI=1S/C27H26F3N3O4/c28-20-5-1-2-7-22(20)35-16-15-33-13-10-18(11-14-33)26(34)32-25(21-6-3-4-12-31-21)19-8-9-23-24(17-19)37-27(29,30)36-23/h1-9,12,17-18,25H,10-11,13-16H2,(H,32,34)/t25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457879
(US10752588, Compound 95)Show SMILES Fc1ccccc1OCCN1CCC(CC1)C(=O)NC(c1ccc2OCOc2c1)c1ccccn1 Show InChI InChI=1S/C27H28FN3O4/c28-21-5-1-2-7-23(21)33-16-15-31-13-10-19(11-14-31)27(32)30-26(22-6-3-4-12-29-22)20-8-9-24-25(17-20)35-18-34-24/h1-9,12,17,19,26H,10-11,13-16,18H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457899
(US10752588, Compound 125)Show SMILES FC(F)(F)CN(CC1CCN(CCOc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C28H31ClF3N3O/c29-24-11-9-23(10-12-24)27(26-8-4-5-15-33-26)35(21-28(30,31)32)20-22-13-16-34(17-14-22)18-19-36-25-6-2-1-3-7-25/h1-12,15,22,27H,13-14,16-21H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457898
(US10752588, Compound 69b)Show SMILES CC1(CCN(CCOc2ccccc2)CC1)C(=O)NC(c1ccc(F)cc1)c1ccccn1 Show InChI InChI=1S/C27H30FN3O2/c1-27(14-17-31(18-15-27)19-20-33-23-7-3-2-4-8-23)26(32)30-25(24-9-5-6-16-29-24)21-10-12-22(28)13-11-21/h2-13,16,25H,14-15,17-20H2,1H3,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457897
(US10752588, Compound 53)Show SMILES Fc1ccc(cc1)C(NC(=O)C1CCN(CCOc2ccccc2Cl)CC1)c1ccccn1 Show InChI InChI=1S/C26H27ClFN3O2/c27-22-5-1-2-7-24(22)33-18-17-31-15-12-20(13-16-31)26(32)30-25(23-6-3-4-14-29-23)19-8-10-21(28)11-9-19/h1-11,14,20,25H,12-13,15-18H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457896
(US10752588, Compound 92)Show SMILES Fc1ccc(nc1)C(NC(=O)C1CCN(CCOc2ccccc2F)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClF2N3O2/c27-20-7-5-18(6-8-20)25(23-10-9-21(28)17-30-23)31-26(33)19-11-13-32(14-12-19)15-16-34-24-4-2-1-3-22(24)29/h1-10,17,19,25H,11-16H2,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457876
(US10752588, Compound 63)Show SMILES Clc1ccc(cc1)C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccccn1 Show InChI InChI=1S/C26H28ClN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-28-24)29-26(31)21-13-16-30(17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25H,13-14,16-19H2,(H,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457889
(US10752588, Compound 72 | US10752588, Compound 72a)Show SMILES CN(CC1CCN(CCOc2ccccc2F)CC1)C(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C27H31ClFN3O/c1-31(27(25-7-4-5-15-30-25)22-9-11-23(28)12-10-22)20-21-13-16-32(17-14-21)18-19-33-26-8-3-2-6-24(26)29/h2-12,15,21,27H,13-14,16-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457891
(US10752588, Compound 77a)Show SMILES COc1cccc(c1)C(N(C)CC1CCN(CCOc2ccccc2F)CC1)c1ccccn1 Show InChI InChI=1S/C28H34FN3O2/c1-31(28(26-11-5-6-15-30-26)23-8-7-9-24(20-23)33-2)21-22-13-16-32(17-14-22)18-19-34-27-12-4-3-10-25(27)29/h3-12,15,20,22,28H,13-14,16-19,21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457892
(US10752588, Compound 66)Show SMILES Clc1ccc(cc1)C(NC(=O)C1CCN(CCOc2ccccc2Cl)CC1)c1ccccn1 Show InChI InChI=1S/C26H27Cl2N3O2/c27-21-10-8-19(9-11-21)25(23-6-3-4-14-29-23)30-26(32)20-12-15-31(16-13-20)17-18-33-24-7-2-1-5-22(24)28/h1-11,14,20,25H,12-13,15-18H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457886
(US10752588, Compound 114)Show SMILES Clc1ccc(cc1)C(NCC1CCN(CCOc2ccccc2)CC1)c1ccccn1 Show InChI InChI=1S/C26H30ClN3O/c27-23-11-9-22(10-12-23)26(25-8-4-5-15-28-25)29-20-21-13-16-30(17-14-21)18-19-31-24-6-2-1-3-7-24/h1-12,15,21,26,29H,13-14,16-20H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580148
(US11498896, Compound 135)Show SMILES FC(F)(F)c1ccccc1OCCN1CCC2(CCCN2c2ccc(Cl)cc2)CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580146
(US11498896, Compound 123) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580142
(US11498896, Compound 110) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580141
(US11498896, Compound 106)Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)C(=O)c1ccccc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580136
(US11498896, Compound 98a) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580132
(US11498896, Compound 86) | PDB
Reactome pathway
KEGG
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50130293
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | PDB
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457901
(US10752588, Compound 144a)Show SMILES CC1(CCN(CCOc2ccccc2)CC1)C(=O)NC(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C27H30ClN3O2/c1-27(14-17-31(18-15-27)19-20-33-23-7-3-2-4-8-23)26(32)30-25(24-9-5-6-16-29-24)21-10-12-22(28)13-11-21/h2-13,16,25H,14-15,17-20H2,1H3,(H,30,32) | PDB
Reactome pathway
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UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457889
(US10752588, Compound 72 | US10752588, Compound 72a)Show SMILES CN(CC1CCN(CCOc2ccccc2F)CC1)C(c1ccc(Cl)cc1)c1ccccn1 Show InChI InChI=1S/C27H31ClFN3O/c1-31(27(25-7-4-5-15-30-25)22-9-11-23(28)12-10-22)20-21-13-16-32(17-14-21)18-19-33-26-8-3-2-6-24(26)29/h2-12,15,21,27H,13-14,16-20H2,1H3 | PDB
Reactome pathway
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UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457888
(US10752588, Compound 105)Show SMILES Clc1ccc(cc1)C(N1CCC2(C1)CCN(CCOc1ccccc1)CC2)c1ccccn1 Show InChI InChI=1S/C28H32ClN3O/c29-24-11-9-23(10-12-24)27(26-8-4-5-16-30-26)32-19-15-28(22-32)13-17-31(18-14-28)20-21-33-25-6-2-1-3-7-25/h1-12,16,27H,13-15,17-22H2 | PDB
Reactome pathway
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UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580149
(US11498896, Compound 137) | PDB
Reactome pathway
KEGG
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580162
(US11498896, Compound 211)Show SMILES CC(=O)NC1(C)CCN(C[C@H]2COc3ccc(Br)cc3O2)CC1 | PDB
Reactome pathway
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UniChem
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50130293
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | PDB
Reactome pathway
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| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580160
(US11498896, Compound 209)Show SMILES CC1(CCN(C[C@H]2COc3ccccc3O2)CC1)NC(=O)C1CC1 | PDB
Reactome pathway
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UniChem
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580161
(US11498896, Compound 210) | PDB
Reactome pathway
KEGG
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| PC cid
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457877
(US10752588, Compound 25)Show SMILES Fc1ccc(cc1)C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccccn1 Show InChI InChI=1S/C26H28FN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-28-24)29-26(31)21-13-16-30(17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25H,13-14,16-19H2,(H,29,31) | PDB
Reactome pathway
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457878
(US10752588, Compound 35b)Show SMILES COc1cccc(c1)[C@@H](NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccccn1 |r| Show InChI InChI=1S/C27H31N3O3/c1-32-24-11-7-8-22(20-24)26(25-12-5-6-15-28-25)29-27(31)21-13-16-30(17-14-21)18-19-33-23-9-3-2-4-10-23/h2-12,15,20-21,26H,13-14,16-19H2,1H3,(H,29,31)/t26-/m1/s1 | PDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457882
(US10752588, Compound 40)Show SMILES Fc1ccccc1C(NC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H28ClFN2O2/c28-22-12-10-20(11-13-22)26(24-8-4-5-9-25(24)29)30-27(32)21-14-16-31(17-15-21)18-19-33-23-6-2-1-3-7-23/h1-13,21,26H,14-19H2,(H,30,32) | PDB
Reactome pathway
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM457900
(US10752588, Compound 128b)Show SMILES FC(F)(F)c1ccccc1OCCN1CCC(COC(c2ccc(Cl)cc2)c2ccccn2)CC1 Show InChI InChI=1S/C27H28ClF3N2O2/c28-22-10-8-21(9-11-22)26(24-6-3-4-14-32-24)35-19-20-12-15-33(16-13-20)17-18-34-25-7-2-1-5-23(25)27(29,30)31/h1-11,14,20,26H,12-13,15-19H2 | PDB
Reactome pathway
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Broad Institute, Inc.; Massachusetts Institute of Technology
US Patent
| Assay Description
radioligand binding assay. |
US Patent US10752588 (2020)
BindingDB Entry DOI: 10.7270/Q27H1NNQ |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580125
(US11498896, Compound 27) | PDB
Reactome pathway
KEGG
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UniChem
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580130
(US11498896, Compound 68)Show SMILES CC1(CCN(CCOc2ccc(cc2)C(F)(F)F)CC1)Oc1ccccc1 | PDB
Reactome pathway
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580131
(US11498896, Compound 78)Show SMILES CC1(CC2CCC(C1)N2CCOc1ccccc1C(F)(F)F)Oc1ccccc1 |TLB:9:8:4.5:1.2.7| | PDB
Reactome pathway
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| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50518039
(CHEMBL4467883 | US11498896, Compound 90)Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClF3NO2/c1-20(28-17-8-6-16(22)7-9-17)10-12-26(13-11-20)14-15-27-19-5-3-2-4-18(19)21(23,24)25/h2-9H,10-15H2,1H3 | PDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580134
(US11498896, Compound 91) | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580135
(US11498896, Compound 96) | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580137
(US11498896, Compound 99) | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580140
(US11498896, Compound 102a) | PDB
Reactome pathway
KEGG
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| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580143
(US11498896, Compound 112)Show SMILES CN(c1ccccc1)C1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1 | PDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580145
(US11498896, Compound 122)Show SMILES CC1(CCN(CCOc2cc(F)ccc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1 | PDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580151
(US11498896, Compound 144) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| PC cid
PC sid
UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM580152
(US11498896, Compound 157)Show SMILES CC1(CCN(CCOc2ccc(F)cc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1 | PDB
Reactome pathway
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| PC cid
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UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The D2 binding Ki values were determined using a radioligand binding assay. |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28919P8 |
More data for this
Ligand-Target Pair | |
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