BDBM85237 5-MeOT-N-hexanyl

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

InChI Key: InChIKey=WKVPAZPJXAUDEY-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 = 85237   

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))	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	322	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))	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	337	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 (Chick)	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	773	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)	BDBM85237 (5-MeOT-N-hexanyl) Show SMILES CCCCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	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