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Compile Data Set for Download or QSAR

Found 17 hits of ec50 for UniProtKB: P49219   
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
Melatonin receptor type 1C


(Xenopus)
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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Article
PubMed
n/an/an/an/a 0.0794n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476612
PNG
(CHEMBL233728)
Show SMILES COc1cc(Br)c2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15BrN2O2/c1-8(17)15-4-3-9-7-16-13-11(9)5-10(18-2)6-12(13)14/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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n/an/an/an/a 3.30n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476627
PNG
(CHEMBL233308)
Show SMILES CCCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C15H19BrN2O2/c1-3-4-14(19)17-6-5-10-9-18-15-12(10)7-11(20-2)8-13(15)16/h7-9,18H,3-6H2,1-2H3,(H,17,19)
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n/an/an/an/a 3.5n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476614
PNG
(CHEMBL392421)
Show SMILES COc1cc(C)c2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10-7-13(19-4)8-14-12(5-6-16-11(2)18)9-17(3)15(10)14/h7-9H,5-6H2,1-4H3,(H,16,18)
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n/an/an/an/a 9.80n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476611
PNG
(CHEMBL233729)
Show SMILES CCC(=O)NCCc1c[nH]c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C14H17BrN2O2/c1-3-13(18)16-5-4-9-8-17-14-11(9)6-10(19-2)7-12(14)15/h6-8,17H,3-5H2,1-2H3,(H,16,18)
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n/an/an/an/a 11n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476617
PNG
(CHEMBL391350)
Show SMILES CCCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12
Show InChI InChI=1S/C16H22N2O2/c1-4-5-15(19)17-7-6-12-10-18-16-11(2)8-13(20-3)9-14(12)16/h8-10,18H,4-7H2,1-3H3,(H,17,19)
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n/an/an/an/a 13n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476624
PNG
(CHEMBL233516)
Show SMILES CCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12
Show InChI InChI=1S/C16H22N2O2/c1-5-15(19)17-7-6-12-10-18(3)16-11(2)8-13(20-4)9-14(12)16/h8-10H,5-7H2,1-4H3,(H,17,19)
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n/an/an/an/a 16n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476628
PNG
(CHEMBL392422)
Show SMILES CCCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-5-6-16(20)18-8-7-13-11-19(3)17-12(2)9-14(21-4)10-15(13)17/h9-11H,5-8H2,1-4H3,(H,18,20)
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n/an/an/an/a 17n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476613
PNG
(CHEMBL233309)
Show SMILES COc1cc(Br)c2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17BrN2O2/c1-9(18)16-5-4-10-8-17(2)14-12(10)6-11(19-3)7-13(14)15/h6-8H,4-5H2,1-3H3,(H,16,18)
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n/an/an/an/a 25n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476626
PNG
(CHEMBL395221)
Show SMILES CCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12
Show InChI InChI=1S/C15H20N2O2/c1-4-14(18)16-6-5-11-9-17-15-10(2)7-12(19-3)8-13(11)15/h7-9,17H,4-6H2,1-3H3,(H,16,18)
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n/an/an/an/a 32n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476620
PNG
(CHEMBL231872)
Show SMILES COc1cc(C)c2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-9-6-12(18-3)7-13-11(8-16-14(9)13)4-5-15-10(2)17/h6-8,16H,4-5H2,1-3H3,(H,15,17)
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n/an/an/an/a 46n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476621
PNG
(CHEMBL394408)
Show SMILES CCCC(=O)NCCc1c[nH]c2c(cc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C21H24N2O2/c1-3-7-20(24)22-11-10-16-14-23-21-18(15-8-5-4-6-9-15)12-17(25-2)13-19(16)21/h4-6,8-9,12-14,23H,3,7,10-11H2,1-2H3,(H,22,24)
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n/an/an/an/a 46n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476619
PNG
(CHEMBL394406)
Show SMILES CCCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C16H21BrN2O2/c1-4-5-15(20)18-7-6-11-10-19(2)16-13(11)8-12(21-3)9-14(16)17/h8-10H,4-7H2,1-3H3,(H,18,20)
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n/an/an/an/a 52n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476615
PNG
(CHEMBL233310)
Show SMILES CCC(=O)NCCc1cn(C)c2c(Br)cc(OC)cc12
Show InChI InChI=1S/C15H19BrN2O2/c1-4-14(19)17-6-5-10-9-18(2)15-12(10)7-11(20-3)8-13(15)16/h7-9H,4-6H2,1-3H3,(H,17,19)
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n/an/an/an/a 65n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476616
PNG
(CHEMBL233311)
Show SMILES COc1cc(-c2ccccc2)c2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-9-8-15-12-21-19-17(14-6-4-3-5-7-14)10-16(23-2)11-18(15)19/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
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n/an/an/an/a 120n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476622
PNG
(CHEMBL233517)
Show SMILES CCC(=O)NCCc1c[nH]c2c(cc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-3-19(23)21-10-9-15-13-22-20-17(14-7-5-4-6-8-14)11-16(24-2)12-18(15)20/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,21,23)
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n/an/an/an/a 155n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Xenopus)
BDBM50476625
PNG
(CHEMBL233740)
Show SMILES COc1cc(-c2ccccc2)c2n(C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-10-9-16-13-22(2)20-18(15-7-5-4-6-8-15)11-17(24-3)12-19(16)20/h4-8,11-13H,9-10H2,1-3H3,(H,21,23)
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n/an/an/an/a 339n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
More data for this
Ligand-Target Pair