BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 13 hits of ki for monomerid = 50057762   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
4.20n/an/an/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2HD7Z0N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
4.20n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...


US Patent US9598387 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamm...


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
148n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from chimeric human D2 receptor possessing extracellular loop II of D3 receptor expressed in HEK293 cell membranes by gamm...


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
511n/an/an/an/an/an/an/an/a



Universita degli Studi di Roma La Sapienza



Assay Description
Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vect...


J Med Chem 52: 1935-42 (2009)


BindingDB Entry DOI: 10.7270/Q2HD7Z0N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
511n/an/an/an/an/an/an/an/a



Southern Research Institute

US Patent


Assay Description
The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed acco...


US Patent US9598387 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2D1Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
511n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50057762
PNG
(CHEMBL3323011 | US9598387, Compound 113 | US996974...)
Show SMILES CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
Show InChI InChI=1S/C25H32F3N7O/c1-24(2,3)23-31-19(25(26,27)28)16-21(32-23)34-14-12-33(13-15-34)10-7-5-9-29-22(36)18-17-35-11-6-4-8-20(35)30-18/h4,6,8,11,16-17H,5,7,9-10,12-15H2,1-3H3,(H,29,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
702n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from wild type human D2R expressed in HEK293 cell membranes by gamma counting method


J Med Chem 57: 7042-60 (2014)


Article DOI: 10.1021/jm500801r
BindingDB Entry DOI: 10.7270/Q27D2WSR
More data for this
Ligand-Target Pair