BindingDB PrimarySearch

BDBM50043289 CHEMBL34730::N-[2-(6-Chloro-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide::N-[2-(6-Chloro-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide(6-Chloromelatonin)::melatonin, 6-Chloro

SMILES: COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl

InChI Key: InChIKey=LUINDDOUWHRIPW-UHFFFAOYSA-N

Data: 20 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50043289
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847
Nantong University Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cells				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
The German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&agrove; degli Studi di Milano Curated by PDSP K_i Database									Br J Pharmacol 127: 1288-94 (1999) Article DOI: 10.1038/sj.bjp.0702658 BindingDB Entry DOI: 10.7270/Q20G3HQ6
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Sheep)	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP K_i Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B/1C (Gallus gallus-Chick)	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2HT2RJK
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A (GUINEA PIG)	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (GUINEA PIG)	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
Universit£ degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
Universit£ degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&aagrove; degli Studi di Milano Curated by PDSP K_i Database									Br J Pharmacol 124: 485-92 (1998) Article DOI: 10.1038/sj.bjp.0701860 BindingDB Entry DOI: 10.7270/Q29885KW
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP K_i Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Urbino Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka				J Med Chem 36: 4069-74 (1993) Article DOI: 10.1021/jm00077a010 BindingDB Entry DOI: 10.7270/Q2KP84VP
University of Urbino Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP K_i Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor (RABBIT)	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowett Research Institute Curated by PDSP K_i Database									Neurochem Int 24: 101-46 (1994) Article DOI: 10.1016/0197-0186(94)90100-7 BindingDB Entry DOI: 10.7270/Q2SJ1J42
Rowett Research Institute Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 92: 8734-8 (1995) Article DOI: 10.1073/pnas.92.19.8734 BindingDB Entry DOI: 10.7270/Q2GH9GGM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constant				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847
Nantong University Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cells				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
The German University in Cairo Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand				J Med Chem 40: 1990-2002 (1997) Article DOI: 10.1021/jm960651z BindingDB Entry DOI: 10.7270/Q2HD7ZCK
Universit£ degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 \| N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand				J Med Chem 40: 2003-10 (1997) Article DOI: 10.1021/jm960653j BindingDB Entry DOI: 10.7270/Q2CR5X2K
Universit£ degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair