BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 6177 hits with Last Name = 'du' and Initial = 'l'   
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50337878
PNG
((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...)
Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0340n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50063687
PNG
(CHEMBL3397339)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)17-7-14(4-5-19(17)24)10-23-13(3)6-15-8-16(27-11-20(25)26)9-18(22)21(15)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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))
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85066
PNG
(Luzindole,5-Methoxy)
Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM85054
PNG
(1-[3-(5-Methoxy-1H-indol-3-yl)piperidino]ethanone ...)
Show SMILES COc1ccc2[nH]cc(C3CCCN(C3)C(C)=O)c2c1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50063689
PNG
(CHEMBL3397337)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C20H20ClNO4/c1-12(2)16-7-13(3-4-18(16)23)10-22-6-5-14-8-15(26-11-19(24)25)9-17(21)20(14)22/h3-9,12,23H,10-11H2,1-2H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Reactome pathway
KEGG

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.0800n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 227: 592-9 (1983)


BindingDB Entry DOI: 10.7270/Q2902291
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Reactome pathway
KEGG

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.0800n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 227: 592-9 (1983)


BindingDB Entry DOI: 10.7270/Q2902291
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50063755
PNG
(CHEMBL3397341)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(Cl)c23)ccc1O
Show InChI InChI=1S/C21H22ClNO4/c1-12(2)16-6-14(4-5-19(16)24)10-23-9-13(3)17-7-15(27-11-20(25)26)8-18(22)21(17)23/h4-9,12,24H,10-11H2,1-3H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50091350
PNG
(CHEMBL3582270)
Show SMILES CCN(CC)c1ccc2cc(-n3cc(nn3)C(=O)N3CCN(CC3)c3nc(N)c4cc(OC)c(OC)cc4n3)c(=O)oc2c1
Show InChI InChI=1S/C30H33N9O5/c1-5-36(6-2)19-8-7-18-13-23(29(41)44-24(18)14-19)39-17-22(34-35-39)28(40)37-9-11-38(12-10-37)30-32-21-16-26(43-4)25(42-3)15-20(21)27(31)33-30/h7-8,13-17H,5-6,9-12H2,1-4H3,(H2,31,32,33)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count...


ACS Med Chem Lett 6: 502-6 (2015)


Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM
More data for this
Ligand-Target Pair
Melatonin receptor


(Gallus gallus-Chick)
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.130n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes


J Med Chem 36: 2891-8 (1993)


Article DOI: 10.1021/jm00072a008
More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
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)
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50337880
PNG
((R)-1-(9-(2-(3-formamido-4-hydroxyphenyl)-2-hydrox...)
Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c(NC=O)c1
Show InChI InChI=1S/C36H48N4O5/c41-27-38-33-25-29(17-18-34(33)42)35(43)26-37-21-11-4-2-1-3-5-12-22-40-23-19-30(20-24-40)45-36(44)39-32-16-10-9-15-31(32)28-13-7-6-8-14-28/h6-10,13-18,25,27,30,35,37,42-43H,1-5,11-12,19-24,26H2,(H,38,41)(H,39,44)/t35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50063688
PNG
(CHEMBL3397338)
Show SMILES CC(C)c1cc(Cn2c(C)cc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)19-9-16(5-6-20(19)24)11-23-15(4)8-17-10-18(27-12-21(25)26)7-14(3)22(17)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50337881
PNG
((R)-1-(9-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)...)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C36H49N3O5/c40-27-30-25-29(17-18-34(30)41)35(42)26-37-21-11-4-2-1-3-5-12-22-39-23-19-31(20-24-39)44-36(43)38-33-16-10-9-15-32(33)28-13-7-6-8-14-28/h6-10,13-18,25,31,35,37,40-42H,1-5,11-12,19-24,26-27H2,(H,38,43)/t35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50048413
PNG
(CHEMBL2370064)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38+,39-,40-,41+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.155n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells


J Med Chem 57: 8187-203 (2014)


Article DOI: 10.1021/jm401823z
BindingDB Entry DOI: 10.7270/Q2NC62T5
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.170 -55.2n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50063686
PNG
(CHEMBL3397340)
Show SMILES CC(C)c1cc(Cn2cc(C)c3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C22H25NO4/c1-13(2)18-8-16(5-6-20(18)24)11-23-10-15(4)19-9-17(27-12-21(25)26)7-14(3)22(19)23/h5-10,13,24H,11-12H2,1-4H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50337878
PNG
((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...)
Show SMILES O[C@@H](CNCCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C38H48N4O5/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45)/t35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay


Bioorg Med Chem Lett 21: 1354-8 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.01.043
BindingDB Entry DOI: 10.7270/Q2NC61HQ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.190 -54.9n/an/a 0.660n/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


J Med Chem 49: 6155-7 (2006)


Article DOI: 10.1021/jm060491j
BindingDB Entry DOI: 10.7270/Q2N014SV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PubMed
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
0.190 -54.9n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))
BDBM85063
PNG
(Melatonin,6-Cl)
Show SMILES CC(=O)NCCc1c[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C12H13ClN2O/c1-8(16)14-5-4-9-7-15-12-6-10(13)2-3-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin receptor


(Gallus gallus-Chick)
BDBM50231291
PNG
(CHEMBL421013)
Show SMILES COc1cc2c(CCNC(C)=O)c(C)[nH]c2c(Cl)c1Cl
Show InChI InChI=1S/C14H16Cl2N2O2/c1-7-9(4-5-17-8(2)19)10-6-11(20-3)12(15)13(16)14(10)18-7/h6,18H,4-5H2,1-3H3,(H,17,19)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes


J Med Chem 36: 2891-8 (1993)


Article DOI: 10.1021/jm00072a008
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85055
PNG
(CAS_73-31-4 | Melatonin,6,7 di-cl-2-Me)
Show SMILES CC(=O)NCCc1c(C)[nH]c2c(Cl)c(Cl)ccc12
Show InChI InChI=1S/C13H14Cl2N2O/c1-7-9(5-6-16-8(2)18)10-3-4-11(14)12(15)13(10)17-7/h3-4,17H,5-6H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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 receptor


(Homo sapiens (Human))
BDBM85066
PNG
(Luzindole,5-Methoxy)
Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
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)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
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 receptor


(Homo sapiens (Human))
BDBM85066
PNG
(Luzindole,5-Methoxy)
Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50063690
PNG
(CHEMBL3397336)
Show SMILES CC(C)c1cc(Cn2ccc3cc(OCC(O)=O)cc(C)c23)ccc1O
Show InChI InChI=1S/C21H23NO4/c1-13(2)18-9-15(4-5-19(18)23)11-22-7-6-16-10-17(26-12-20(24)25)8-14(3)21(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competi...


Bioorg Med Chem Lett 25: 1377-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.062
BindingDB Entry DOI: 10.7270/Q2PV6N2G
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19986
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-methyl-8-oxatric...)
Show SMILES Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C19H20O3/c1-11-9-14(21)10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(20)8-6-12/h5-10,15-16,19-21H,2-4H2,1H3/t15-,16+,19+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.260 -54.2n/an/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Melatonin receptor


(Gallus gallus-Chick)
BDBM50231307
PNG
(CHEMBL34622)
Show SMILES CCC(=O)NCCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-7-6-10-9-16-13-5-4-11(18-2)8-12(10)13/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes


J Med Chem 36: 2891-8 (1993)


Article DOI: 10.1021/jm00072a008
More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
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)
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 6177 total )  |  Next  |  Last  >>
Jump to: