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BDBM50369653 CHEMBL1202212

SMILES: Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1

InChI Key: InChIKey=UXAHKDYRRLVTBS-SJLPKXTDSA-N

Data: 2 IC50

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 4 hits for monomerid = 50369653   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL




J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
93n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL




J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 208n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand


J Med Chem 43: 3923-32 (2000)


BindingDB Entry DOI: 10.7270/Q2HM595B
More data for this
Ligand-Target Pair