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BDBM50441458 CHEMBL2436555

SMILES: NC1=NCc2cc(Cl)ccc2N1

InChI Key: InChIKey=XXJMPUMRHCNWPW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50441458   
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
Histamine H1 receptor


(Homo sapiens (human))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK cells after 90 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
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PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [[3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in human fibroblasts after 90 mins by scintillation coun...


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha4beta2 nAChR transfected in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
PDB

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Article
PubMed
34n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) expressed in mouse/rat NG108-15 cells after 30 mins by by liquid scintillation count...


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta2


(Homo sapiens (Human))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha2beta2 nAChR transfected in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
6.15E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pentazocine from guinea pig sigma1 receptor after 90 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
PDB

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PC sid
UniChem

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Article
PubMed
80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in African green monkey COS cells after 90 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4


(Homo sapiens (Human)-HUMAN)
BDBM50441458
PNG
(CHEMBL2436555)
Show SMILES NC1=NCc2cc(Cl)ccc2N1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha2beta4 nAChR transfected in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 23: 5945-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.072
BindingDB Entry DOI: 10.7270/Q2ZK5J31
More data for this
Ligand-Target Pair