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BDBM50018950 CHEMBL3287399

SMILES: Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl

InChI Key: InChIKey=CALYWAMIHCNUMA-UHFFFAOYSA-N

Data: 3 KI  2 EC50

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 = 50018950   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50018950
PNG
(CHEMBL3287399)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018950
PNG
(CHEMBL3287399)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018950
PNG
(CHEMBL3287399)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2
PDB

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KEGG

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PC sid
UniChem

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Article
PubMed
8.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50018950
PNG
(CHEMBL3287399)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding a...


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018950
PNG
(CHEMBL3287399)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 340n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells co-expressing Galphai2 after 30 mins by [35S]GTPgammaS bin...


J Med Chem 57: 4861-75 (2014)


Article DOI: 10.1021/jm5004039
BindingDB Entry DOI: 10.7270/Q2SN0BH5
More data for this
Ligand-Target Pair