BDBM50470172 CHEMBL294517

SMILES: CCC(=O)NCCc1c(OC)ccc2ccccc12

InChI Key: InChIKey=LSWDTRIARAZCSU-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50470172   

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 receptor type 1C (Gallus gallus)	BDBM50470172 (CHEMBL294517) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12 Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470172 (CHEMBL294517) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12 Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.676	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)	BDBM50470172 (CHEMBL294517) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12 Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470172 (CHEMBL294517) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12 Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Effect of compound on Melatonin receptor in chicken brain in the presence of GTP-gamma-S				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair