BindingDB logo
myBDB logout

BDBM50053411 CHEMBL3318847

SMILES: CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=YFXWJWJZNPPTDW-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50053411   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor stably expressed in CHO cell membranes by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50053411
PNG
(CHEMBL3318847)
Show SMILES CN(CCN(C)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1)CCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C52H62Cl2F2N4O6/c1-57(31-23-49(63)65-51(41-11-15-43(53)16-12-41)25-33-59(34-26-51)29-3-5-47(61)39-7-19-45(55)20-8-39)37-38-58(2)32-24-50(64)66-52(42-13-17-44(54)18-14-42)27-35-60(36-28-52)30-4-6-48(62)40-9-21-46(56)22-10-40/h7-22H,3-6,23-38H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
260n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from porcine striatal membranes D1 receptor by competitive binding assay


Bioorg Med Chem Lett 24: 3753-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.079
BindingDB Entry DOI: 10.7270/Q2FF3V0M
More data for this
Ligand-Target Pair