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1 similar compounds to monomer 82273

Compile data set for download or QSAR
Wt: 417.9
BDBM84951

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 84951   
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
HTR4


(GUINEA PIG)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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1.58n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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12.6n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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398n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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2.51E+3n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
ADRB2


(Rattus norvegicus)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
DRD1


(GUINEA PIG)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
DRD2


(GUINEA PIG)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM84951
PNG
(CAS_133075 | NSC_133075 | RS 67506)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
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Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 1387-92 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16628.x
BindingDB Entry DOI: 10.7270/Q23B5XP1
More data for this
Ligand-Target Pair