BDBM85239 5-MeOT-N-propionyl

SMILES: CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1

InChI Key: InChIKey=MNUNTXACESEZJT-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 85239   

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))	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	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))	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998) Article DOI: 10.1007/pl00005288 BindingDB Entry DOI: 10.7270/Q2WW7G6S
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.360	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))	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998) Article DOI: 10.1007/pl00005288 BindingDB Entry DOI: 10.7270/Q2WW7G6S
					More data for this Ligand-Target Pair
Melatonin (Chick)	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998) Article DOI: 10.1007/pl00005288 BindingDB Entry DOI: 10.7270/Q2WW7G6S
					More data for this Ligand-Target Pair
Melatonin (Chick)	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.550	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 1C (Xenopus)	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998) Article DOI: 10.1007/pl00005288 BindingDB Entry DOI: 10.7270/Q2WW7G6S
					More data for this Ligand-Target Pair
Melatonin 1C (Xenopus)	BDBM85239 (5-MeOT-N-propionyl) Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.27	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