BDBM50144224 CHEMBL3759816

SMILES: COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1

InChI Key: InChIKey=SFKRKLDYEDLTLS-UHFFFAOYSA-N

Data: 3 KI  2 EC50

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 5 hits for monomerid = 50144224   

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 (Homo sapiens (Human))	BDBM50144224 (CHEMBL3759816) Show SMILES COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1 Show InChI InChI=1S/C18H17NO3/c1-21-14-6-4-11-5-7-16-17(15(11)8-14)13(10-22-16)9-19-18(20)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins				Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50144224 (CHEMBL3759816) Show SMILES COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1 Show InChI InChI=1S/C18H17NO3/c1-21-14-6-4-11-5-7-16-17(15(11)8-14)13(10-22-16)9-19-18(20)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins				Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50144224 (CHEMBL3759816) Show SMILES COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1 Show InChI InChI=1S/C18H17NO3/c1-21-14-6-4-11-5-7-16-17(15(11)8-14)13(10-22-16)9-19-18(20)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Binding affinity to 5-HT2C receptor (unknown origin)				Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50144224 (CHEMBL3759816) Show SMILES COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1 Show InChI InChI=1S/C18H17NO3/c1-21-14-6-4-11-5-7-16-17(15(11)8-14)13(10-22-16)9-19-18(20)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50144224 (CHEMBL3759816) Show SMILES COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1 Show InChI InChI=1S/C18H17NO3/c1-21-14-6-4-11-5-7-16-17(15(11)8-14)13(10-22-16)9-19-18(20)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T
					More data for this Ligand-Target Pair