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BDBM50328506 (S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)methyl)isobutyramide::CHEMBL1259190

SMILES: CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1

InChI Key: InChIKey=SHVCHMGRIYXVAY-NRFANRHFSA-N

Data: 6 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 6 hits for monomerid = 50328506   
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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
KEGG

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Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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PubMed
0.210n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from rat cloned alpha1d receptor


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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PubMed
4.5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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Article
PubMed
5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50328506
PNG
((S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrod...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)/t21-/m0/s1
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Article
PubMed
93n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair