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PubMed code 9733487

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
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 type 1A


(Homo sapiens (Human))		BDBM85372
PNG
(CAS_121-75-5 | MLT | Malathion)
Show SMILES CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
Show InChI InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
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 0.290n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85361
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5h)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H24N2O2/c1-3-21(24)22-13-12-17-14-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,14H,3,12-13,15H2,1-2H3,(H,22,24)
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 63.1n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85371
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5f)
Show SMILES COc1cccc2n(Cc3ccccc3)c(CCNC(C)=O)cc12
Show InChI InChI=1S/C20H22N2O2/c1-15(23)21-12-11-17-13-18-19(9-6-10-20(18)24-2)22(17)14-16-7-4-3-5-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,21,23)
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 87.1n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85360
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5g)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-8-7-10-9-11-12(16-10)5-4-6-13(11)18-2/h4-6,9,16H,3,7-8H2,1-2H3,(H,15,17)
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 135n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50034101
PNG
(CHEMBL14701 | Compound 6 | Cyclobutanecarboxylic a...)
Show SMILES O=C(NCCc1c([nH]c2ccccc12)-c1ccccc1)C1CCC1
Show InChI InChI=1S/C21H22N2O/c24-21(16-9-6-10-16)22-14-13-18-17-11-4-5-12-19(17)23-20(18)15-7-2-1-3-8-15/h1-5,7-8,11-12,16,23H,6,9-10,13-14H2,(H,22,24)
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 200n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85368
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 9)
Show SMILES CCC(=O)NCc1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C13H16N2O2/c1-3-13(16)14-8-9-7-10-11(15-9)5-4-6-12(10)17-2/h4-7,15H,3,8H2,1-2H3,(H,14,16)
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 407n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM82271
PNG
(CAS_260803 | NAS | NSC_260803)
Show SMILES CC(=O)n1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3
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 490n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85359
PNG
Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-3-19(22)20-13-15-12-16-17(10-7-11-18(16)23-2)21(15)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3,(H,20,22)
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 631n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85373
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5a)
Show SMILES COc1cccc2nc(CCNC(C)=O)cc12
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 631n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85362
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5j)
Show SMILES CCC(=O)NCCc1cc2c(OC)cccc2n1-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-13-12-16-14-17-18(10-7-11-19(17)24-2)22(16)15-8-5-4-6-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
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 832n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85363
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 8)
Show SMILES COc1cccc2[nH]c(CNC(C)=O)cc12
Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-7-9-6-10-11(14-9)4-3-5-12(10)16-2/h3-6,14H,7H2,1-2H3,(H,13,15)
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PubMed
 1.23E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85365
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5i)
Show SMILES COc1ccc2cc(CCNC(C)=O)n(C)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-12-8-11-4-5-13(18-3)9-14(11)16(12)2/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)
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PubMed
 1.82E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85364
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5d)
Show SMILES CC(=O)NCCc1cc2ccccc2n1
Show InChI InChI=1S/C12H13N2O/c1-9(15)13-7-6-11-8-10-4-2-3-5-12(10)14-11/h2-5,8H,6-7H2,1H3,(H,13,15)
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PubMed
 2.45E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85366
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 13)
Show SMILES COc1ccc2[nH]c(CCCNC(C)=O)cc2c1
Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-3-4-12-8-11-9-13(18-2)5-6-14(11)16-12/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
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 2.95E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85358
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5c)
Show SMILES COc1cccc2cc(CCNC(C)=O)nc12
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PubMed
 3.80E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85370
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5k)
Show SMILES COc1ccc2c(Br)c(CCNC(C)=O)[nH]c2c1
Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-11-13(14)10-4-3-9(18-2)7-12(10)16-11/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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 3.98E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85367
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5b)
Show SMILES COc1ccc2cc(CCNC(C)=O)nc2c1
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PubMed
 8.51E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM85369
PNG
(N-[(1H-Indol-2-yl)alkyl]acylamino Derivatives 5e)
Show SMILES COc1ccc2nc(CCNC(C)=O)cc2c1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Milano

Curated by PDSP Ki Database




J Med Chem 41: 3624-34 (1998)


Article DOI: 10.1021/jm970721h
BindingDB Entry DOI: 10.7270/Q2T43RN6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%