BDBM50282758 CHEMBL33171::N-Acetyltryptamine::N-[2-(1H-Indol-3-yl)-ethyl]-acetamide

SMILES: CC(=O)NCCc1c[nH]c2ccccc12

InChI Key: InChIKey=NVUGEQAEQJTCIX-UHFFFAOYSA-N

Data: 13 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50282758   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Melatonin (RABBIT)	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	64.6	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 Ki 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 (RABBIT)	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	84.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 type 1C (Gallus gallus)	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars		701	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radioligand in chick brain membranes				Citation and Details BindingDB Entry DOI: 10.7270/Q2HQ422R
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College Curated by PDSP Ki Database									Biol Cell 89: 531-7 (1997) Article DOI: 10.1016/s0248-4900(98)80009-9 BindingDB Entry DOI: 10.7270/Q2JS9P06
					More data for this Ligand-Target Pair
Melatonin (RABBIT)	BDBM50282758 (CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...) Show SMILES CC(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rowett Research Institute Curated by PDSP Ki Database									Neurochem Int 24: 101-46 (1994) Article DOI: 10.1016/0197-0186(94)90100-7 BindingDB Entry DOI: 10.7270/Q2SJ1J42
					More data for this Ligand-Target Pair