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SMILES: CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N

InChI Key: InChIKey=WRHAGKLNUCUJGJ-ZVAWYAOSSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50013968   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
PubMed
11n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]bremazocine radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
PDB

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B.MOAD
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523n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]bremazocine radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
PDB

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1.54E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity of compound towards Dopamine receptor D2 was determined in presence of [3H](-)-sulpiride radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50013968
PNG
(2-(2-Amino-4,5-dichloro-phenyl)-N-methyl-N-(2-pyrr...)
Show SMILES CN(C1CCCC[C@@H]1N1CCCC1)C(=O)Cc1cc(Cl)c(Cl)cc1N
Show InChI InChI=1S/C19H27Cl2N3O/c1-23(17-6-2-3-7-18(17)24-8-4-5-9-24)19(25)11-13-10-14(20)15(21)12-16(13)22/h10,12,17-18H,2-9,11,22H2,1H3/t17?,18-/m0/s1
PDB

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n/an/a 12n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand


J Med Chem 33: 3100-10 (1990)


BindingDB Entry DOI: 10.7270/Q2348KZJ
More data for this
Ligand-Target Pair