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BDBM82478 CAS_2820::N-DESMETHYLCLOZAPINE::NSC_2820

SMILES: Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1

InChI Key: InChIKey=HESZUPIXRNZIOI-UHFFFAOYSA-N

Data: 7 KI  1 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 8 hits for monomerid = 82478   
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
HTR6


(RAT)
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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PubMed
9.40n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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14.9n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 1403-10 (1994)

More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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20n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)

More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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PubMed
70n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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89n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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100n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)

More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
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PubMed
153n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 1278-87 (2005)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM82478
PNG
(CAS_2820 | N-DESMETHYLCLOZAPINE | NSC_2820)
Show SMILES Clc1ccc2N=c3ccccc3=C(Nc2c1)N1CCNCC1
Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2
PDB
MMDB

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PubMed
n/an/a 4.47E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)

More data for this
Ligand-Target Pair