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BDBM82475 ACETOPHENAZINE::CAS_5714-00-1::NSC_17676

SMILES: CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1

InChI Key: InChIKey=WNTYBHLDCKXEOT-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 82475   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82475
PNG
(ACETOPHENAZINE | CAS_5714-00-1 | NSC_17676)
Show SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
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PubMed
2.40n/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
HTR6


(RAT)
BDBM82475
PNG
(ACETOPHENAZINE | CAS_5714-00-1 | NSC_17676)
Show SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
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PubMed
72n/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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM82475
PNG
(ACETOPHENAZINE | CAS_5714-00-1 | NSC_17676)
Show SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
PDB
MMDB

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Article
PubMed
800n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from rat androgen receptor


Proc Natl Acad Sci USA 104: 11927-32 (2007)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM82475
PNG
(ACETOPHENAZINE | CAS_5714-00-1 | NSC_17676)
Show SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
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DrugBank
PC cid
PC sid
UniChem

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PubMed
1.00E+3n/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