Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 306.4 BDBM85057

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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 1B (Homo sapiens (Human))	BDBM85057 (N 0891 | N-0891 | N-[2-[2-(4-Methylbenzyl)-1H-indo...) Show SMILES CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12 Show InChI InChI=1S/C20H22N2O/c1-14-7-9-16(10-8-14)13-20-18(11-12-21-15(2)23)17-5-3-4-6-19(17)22-20/h3-10,22H,11-13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9.60	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 (RABBIT)	BDBM85057 (N 0891 | N-0891 | N-[2-[2-(4-Methylbenzyl)-1H-indo...) Show SMILES CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12 Show InChI InChI=1S/C20H22N2O/c1-14-7-9-16(10-8-14)13-20-18(11-12-21-15(2)23)17-5-3-4-6-19(17)22-20/h3-10,22H,11-13H2,1-2H3,(H,21,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	20	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 (RABBIT)	BDBM85057 (N 0891 | N-0891 | N-[2-[2-(4-Methylbenzyl)-1H-indo...) Show SMILES CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12 Show InChI InChI=1S/C20H22N2O/c1-14-7-9-16(10-8-14)13-20-18(11-12-21-15(2)23)17-5-3-4-6-19(17)22-20/h3-10,22H,11-13H2,1-2H3,(H,21,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	264	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 1A (Homo sapiens (Human))	BDBM85057 (N 0891 | N-0891 | N-[2-[2-(4-Methylbenzyl)-1H-indo...) Show SMILES CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12 Show InChI InChI=1S/C20H22N2O/c1-14-7-9-16(10-8-14)13-20-18(11-12-21-15(2)23)17-5-3-4-6-19(17)22-20/h3-10,22H,11-13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	876	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