BDBM50212051 12-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carbonyloxy)dodecyl 3-(2-acetamidoethyl)-5-methoxy-1Hindole-2-carboxylate::CHEMBL220091

SMILES: COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1

InChI Key: InChIKey=KKSMUGCWBYJZHM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50212051   

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))	BDBM50212051 (12-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...) Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C40H54N4O8/c1-27(45)41-21-19-31-33-25-29(49-3)15-17-35(33)43-37(31)39(47)51-23-13-11-9-7-5-6-8-10-12-14-24-52-40(48)38-32(20-22-42-28(2)46)34-26-30(50-4)16-18-36(34)44-38/h15-18,25-26,43-44H,5-14,19-24H2,1-4H3,(H,41,45)(H,42,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50212051 (12-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-car...) Show SMILES COc1ccc2[nH]c(C(=O)OCCCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C40H54N4O8/c1-27(45)41-21-19-31-33-25-29(49-3)15-17-35(33)43-37(31)39(47)51-23-13-11-9-7-5-6-8-10-12-14-24-52-40(48)38-32(20-22-42-28(2)46)34-26-30(50-4)16-18-36(34)44-38/h15-18,25-26,43-44H,5-14,19-24H2,1-4H3,(H,41,45)(H,42,46)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Carlo Bo Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				Bioorg Med Chem 15: 4643-50 (2007) Article DOI: 10.1016/j.bmc.2007.03.080 BindingDB Entry DOI: 10.7270/Q2BZ65Q4
					More data for this Ligand-Target Pair