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Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'hagan' and Initial = 'rm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0100n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.0300n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0300n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0300n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.0400n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0400n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0500n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.0800n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.0900n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.100n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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0.140n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85064
PNG
(CAS_5311134 | GR 196429 | NSC_5311134)
Show SMILES CC(=O)NCCN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)
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0.140n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85064
PNG
(CAS_5311134 | GR 196429 | NSC_5311134)
Show SMILES CC(=O)NCCN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)
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0.160n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.190n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.240n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.25n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM85064
PNG
(CAS_5311134 | GR 196429 | NSC_5311134)
Show SMILES CC(=O)NCCN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)
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0.330n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.380n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.410n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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0.460n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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0.540n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM85064
PNG
(CAS_5311134 | GR 196429 | NSC_5311134)
Show SMILES CC(=O)NCCN1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)
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0.610n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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0.670n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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0.740n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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1.69n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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2.23n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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2.69n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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10.2n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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14.4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM82509
PNG
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1O
Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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25.1n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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79.4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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148n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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251n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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251n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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302n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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347n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM29612
PNG
(CHEMBL33103 | N-ACETYL SEROTONIN | N-Acetyl-5-hydr...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
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398n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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676n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM85065
PNG
(CAS_117946-91-5 | Luzindole | NSC_122162)
Show SMILES CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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933n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007824
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C35H51N7O6S/c1-23(2)19-27(34(47)41-26(32(37)45)16-18-49-3)40-31(44)22-38-33(46)28(20-24-11-6-4-7-12-24)42-35(48)29(39-30(43)15-10-17-36)21-25-13-8-5-9-14-25/h4-9,11-14,23,26-29H,10,15-22,36H2,1-3H3,(H2,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H,42,48)/t26-,27+,28+,29+/m1/s1
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n/an/an/an/a>3.57E+3n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007823
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29+,30+,31+,32+/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007825
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28+,29+,30+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007825
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28+,29+,30+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007826
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C36H53N7O6S/c1-23(2)20-28(35(48)41-27(32(38)45)17-19-50-4)42-33(46)24(3)39-34(47)30(22-26-14-9-6-10-15-26)43-36(49)29(40-31(44)16-11-18-37)21-25-12-7-5-8-13-25/h5-10,12-15,23-24,27-30H,11,16-22,37H2,1-4H3,(H2,38,45)(H,39,47)(H,40,44)(H,41,48)(H,42,46)(H,43,49)/t24-,27+,28-,29-,30-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007827
PNG
(2-(3-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C37H53N7O6S/c1-24(2)21-31(36(49)41-27(33(39)46)17-20-51-3)44-19-16-28(37(44)50)42-35(48)30(23-26-13-8-5-9-14-26)43-34(47)29(40-32(45)15-10-18-38)22-25-11-6-4-7-12-25/h4-9,11-14,24,27-31H,10,15-23,38H2,1-3H3,(H2,39,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)/t27-,28?,29-,30-,31+/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007828
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,40?/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at tachykinin receptor 1 receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007828
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,40?/m0/s1
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n/an/an/an/a>500n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007829
PNG
(2-(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
Show InChI InChI=1S/C40H57N7O6S/c1-27(2)24-33(37(51)44-30(35(42)49)17-23-54-3)46-22-19-40(39(46)53)18-11-21-47(40)38(52)32(26-29-14-8-5-9-15-29)45-36(50)31(43-34(48)16-10-20-41)25-28-12-6-4-7-13-28/h4-9,12-15,27,30-33H,10-11,16-26,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33+,40?/m0/s1
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n/an/an/an/a 8.30n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007823
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29+,30+,31+,32+/m1/s1
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n/an/an/an/a 188n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
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