Found 18 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045587
(CHEMBL3309942)Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(=O)NCC |r| Show InChI InChI=1S/C16H21ClN2O2/c1-3-18-16(20)19-6-4-5-10-7-11-8-13(17)14(21-2)9-12(11)15(10)19/h8-10,15H,3-7H2,1-2H3,(H,18,20)/t10-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045594
(CHEMBL3310258)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)N(CC)CC)CCC2 |r| Show InChI InChI=1S/C19H26N2O3/c1-3-20(4-2)18(22)11-21-7-5-6-13-8-14-9-16-17(24-12-23-16)10-15(14)19(13)21/h9-10,13,19H,3-8,11-12H2,1-2H3/t13-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045590
(CHEMBL3310256)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)Nc1ccccc1)CCC2 |r| Show InChI InChI=1S/C21H22N2O3/c24-20(22-16-6-2-1-3-7-16)12-23-8-4-5-14-9-15-10-18-19(26-13-25-18)11-17(15)21(14)23/h1-3,6-7,10-11,14,21H,4-5,8-9,12-13H2,(H,22,24)/t14-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045587
(CHEMBL3309942)Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(=O)NCC |r| Show InChI InChI=1S/C16H21ClN2O2/c1-3-18-16(20)19-6-4-5-10-7-11-8-13(17)14(21-2)9-12(11)15(10)19/h8-10,15H,3-7H2,1-2H3,(H,18,20)/t10-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045591
(CHEMBL3310257)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)N1CCCCC1)CCC2 |r| Show InChI InChI=1S/C20H26N2O3/c23-19(21-6-2-1-3-7-21)12-22-8-4-5-14-9-15-10-17-18(25-13-24-17)11-16(15)20(14)22/h10-11,14,20H,1-9,12-13H2/t14-,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045581
(CHEMBL3309940)Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])NCCC2 |r| Show InChI InChI=1S/C13H16ClNO/c1-16-12-7-10-9(6-11(12)14)5-8-3-2-4-15-13(8)10/h6-8,13,15H,2-5H2,1H3/t8-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045584
(CHEMBL3309941)Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(C)=O |r| Show InChI InChI=1S/C15H18ClNO2/c1-9(18)17-5-3-4-10-6-11-7-13(16)14(19-2)8-12(11)15(10)17/h7-8,10,15H,3-6H2,1-2H3/t10-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045591
(CHEMBL3310257)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)N1CCCCC1)CCC2 |r| Show InChI InChI=1S/C20H26N2O3/c23-19(21-6-2-1-3-7-21)12-22-8-4-5-14-9-15-10-17-18(25-13-24-17)11-16(15)20(14)22/h10-11,14,20H,1-9,12-13H2/t14-,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045589
(CHEMBL3310255)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CCC2)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN2O3/c21-14-3-5-15(6-4-14)22-20(24)23-7-1-2-12-8-13-9-17-18(26-11-25-17)10-16(13)19(12)23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,22,24)/t12-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045589
(CHEMBL3310255)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CCC2)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C20H19FN2O3/c21-14-3-5-15(6-4-14)22-20(24)23-7-1-2-12-8-13-9-17-18(26-11-25-17)10-16(13)19(12)23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,22,24)/t12-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045584
(CHEMBL3309941)Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(C)=O |r| Show InChI InChI=1S/C15H18ClNO2/c1-9(18)17-5-3-4-10-6-11-7-13(16)14(19-2)8-12(11)15(10)17/h7-8,10,15H,3-6H2,1-2H3/t10-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045590
(CHEMBL3310256)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)Nc1ccccc1)CCC2 |r| Show InChI InChI=1S/C21H22N2O3/c24-20(22-16-6-2-1-3-7-16)12-23-8-4-5-14-9-15-10-18-19(26-13-25-18)11-17(15)21(14)23/h1-3,6-7,10-11,14,21H,4-5,8-9,12-13H2,(H,22,24)/t14-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045588
(CHEMBL3309943)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])NCCC2 |r| Show InChI InChI=1S/C13H15NO2/c1-2-8-4-9-5-11-12(16-7-15-11)6-10(9)13(8)14-3-1/h5-6,8,13-14H,1-4,7H2/t8-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045581
(CHEMBL3309940)Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])NCCC2 |r| Show InChI InChI=1S/C13H16ClNO/c1-16-12-7-10-9(6-11(12)14)5-8-3-2-4-15-13(8)10/h6-8,13,15H,2-5H2,1H3/t8-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045588
(CHEMBL3309943)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])NCCC2 |r| Show InChI InChI=1S/C13H15NO2/c1-2-8-4-9-5-11-12(16-7-15-11)6-10(9)13(8)14-3-1/h5-6,8,13-14H,1-4,7H2/t8-,13+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A/1B
(Homo sapiens (Human)) | BDBM50045594
(CHEMBL3310258)Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)N(CC)CC)CCC2 |r| Show InChI InChI=1S/C19H26N2O3/c1-3-20(4-2)18(22)11-21-7-5-6-13-8-14-9-16-17(24-12-23-16)10-15(14)19(13)21/h9-10,13,19H,3-8,11-12H2,1-2H3/t13-,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Valencia
Curated by ChEMBL
| Assay Description
Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 24: 3534-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.053
BindingDB Entry DOI: 10.7270/Q28G8NB9 |
More data for this
Ligand-Target Pair | |
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