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BDBM85136 CAS_188942::CHEMBL103772::NGD 94-1::NSC_188942

SMILES: C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1

InChI Key: InChIKey=OTVQCHUIPJYASM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 85136   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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2.5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 1011-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CC0Z63
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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3.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 1011-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CC0Z63
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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3.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D4


J Med Chem 44: 477-501 (2001)


BindingDB Entry DOI: 10.7270/Q24Q7VQH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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PubMed
3.80n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151


J Med Chem 40: 1-3 (1997)


Article DOI: 10.1021/jm960637m
BindingDB Entry DOI: 10.7270/Q21C1W0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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181n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1-3 (1997)


Article DOI: 10.1021/jm960637m
BindingDB Entry DOI: 10.7270/Q21C1W0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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2.25E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151


J Med Chem 40: 1-3 (1997)


Article DOI: 10.1021/jm960637m
BindingDB Entry DOI: 10.7270/Q21C1W0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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antibodypedia
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PubMed
>8.00E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151


J Med Chem 40: 1-3 (1997)


Article DOI: 10.1021/jm960637m
BindingDB Entry DOI: 10.7270/Q21C1W0V
More data for this
Ligand-Target Pair